USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 GLN :FLIP amide:sc= 0.555 F(o=-1.1,f=0.97) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.415 K(o=0.97,f=-7.9!) USER MOD Set 2.1: A 74 GLN : amide:sc= -0.279 X(o=-1.3,f=-1.1) USER MOD Set 2.2: A 77 MET CE :methyl 177:sc= -1.05 (180deg=-1.09) USER MOD Set 3.1: A 51 GLN :FLIP amide:sc= -0.464 F(o=-2.2,f=-0.84) USER MOD Set 3.2: A 68 MET CE :methyl 166:sc= -0.374 (180deg=-0.714) USER MOD Set 3.3: A 99 THR OG1 : rot -120:sc= 0 USER MOD Set 4.1: A 40 SER OG : rot -83:sc= 1.99 USER MOD Set 4.2: A 44 ASN : amide:sc= 0.0541 K(o=3.4,f=-0.65!) USER MOD Set 4.3: A 45 SER OG : rot 75:sc= 0.736 USER MOD Set 4.4: A 47 HIS : no HE2:sc= 0.635 K(o=3.4,f=-3) USER MOD Single : A 22 THR OG1 : rot 83:sc= 0.489 USER MOD Single : A 23 LYS NZ :NH3+ 169:sc=-0.00875 (180deg=-0.127) USER MOD Single : A 26 THR OG1 : rot 96:sc= 0.525 USER MOD Single : A 29 SER OG : rot 84:sc= 1.37 USER MOD Single : A 33 THR OG1 : rot 96:sc= -1.06 USER MOD Single : A 38 CYS SG : rot 28:sc= -2.16! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.256 K(o=0.26,f=-0.55) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00699) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0.0994 (180deg=0.092) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0307) USER MOD Single : A 65 HIS : no HE2:sc= -0.144 K(o=-0.14,f=-0.72) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.1 F(o=-2.3!,f=-1.1) USER MOD Single : A 67 ASN : amide:sc= -0.101 K(o=-0.1,f=-7.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.05) USER MOD Single : A 78 TYR OH : rot 165:sc= -0.0084 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0239) USER MOD Single : A 85 HIS : no HD1:sc= 0.447 K(o=0.45,f=-1.7!) USER MOD Single : A 102 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.92) USER MOD Single : A 103 HIS : no HD1:sc= -0.746 K(o=-0.75,f=-2) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 ASN :FLIP amide:sc= -0.0718 F(o=-1.5!,f=-0.072) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 6.460 -14.443 -0.128 1.00 55.42 N ATOM 238 CA VAL A 17 5.832 -13.157 0.184 1.00 41.01 C ATOM 239 C VAL A 17 4.815 -13.336 1.338 1.00 13.43 C ATOM 240 O VAL A 17 3.983 -14.247 1.267 1.00 25.05 O ATOM 241 CB VAL A 17 5.086 -12.575 -1.072 1.00 32.41 C ATOM 242 CG1 VAL A 17 4.529 -11.160 -0.793 1.00 71.43 C ATOM 243 CG2 VAL A 17 5.996 -12.591 -2.320 1.00 50.23 C ATOM 0 HA VAL A 17 6.616 -12.461 0.482 1.00 41.01 H new ATOM 0 HB VAL A 17 4.234 -13.223 -1.279 1.00 32.41 H new ATOM 0 HG11 VAL A 17 4.020 -10.788 -1.682 1.00 71.43 H new ATOM 0 HG12 VAL A 17 3.824 -11.204 0.038 1.00 71.43 H new ATOM 0 HG13 VAL A 17 5.350 -10.490 -0.538 1.00 71.43 H new ATOM 0 HG21 VAL A 17 5.452 -12.183 -3.172 1.00 50.23 H new ATOM 0 HG22 VAL A 17 6.883 -11.986 -2.132 1.00 50.23 H new ATOM 0 HG23 VAL A 17 6.296 -13.616 -2.538 1.00 50.23 H new ATOM 253 N PRO A 18 4.874 -12.504 2.427 1.00 72.55 N ATOM 254 CA PRO A 18 3.830 -12.499 3.482 1.00 10.23 C ATOM 255 C PRO A 18 2.473 -11.999 2.916 1.00 65.04 C ATOM 256 O PRO A 18 2.443 -11.137 2.014 1.00 1.24 O ATOM 257 CB PRO A 18 4.411 -11.547 4.565 1.00 51.45 C ATOM 258 CG PRO A 18 5.371 -10.671 3.828 1.00 2.42 C ATOM 259 CD PRO A 18 5.953 -11.523 2.721 1.00 64.33 C ATOM 0 HA PRO A 18 3.614 -13.489 3.884 1.00 10.23 H new ATOM 0 HB2 PRO A 18 3.624 -10.960 5.039 1.00 51.45 H new ATOM 0 HB3 PRO A 18 4.912 -12.106 5.355 1.00 51.45 H new ATOM 0 HG2 PRO A 18 4.866 -9.795 3.421 1.00 2.42 H new ATOM 0 HG3 PRO A 18 6.155 -10.307 4.492 1.00 2.42 H new ATOM 0 HD2 PRO A 18 6.201 -10.925 1.844 1.00 64.33 H new ATOM 0 HD3 PRO A 18 6.870 -12.019 3.038 1.00 64.33 H new ATOM 267 N ALA A 19 1.369 -12.552 3.471 1.00 73.35 N ATOM 268 CA ALA A 19 -0.015 -12.344 2.974 1.00 40.35 C ATOM 269 C ALA A 19 -0.390 -10.855 2.812 1.00 13.35 C ATOM 270 O ALA A 19 -1.178 -10.507 1.922 1.00 63.45 O ATOM 271 CB ALA A 19 -1.025 -13.041 3.900 1.00 41.22 C ATOM 0 H ALA A 19 1.413 -13.163 4.287 1.00 73.35 H new ATOM 0 HA ALA A 19 -0.053 -12.788 1.979 1.00 40.35 H new ATOM 0 HB1 ALA A 19 -2.035 -12.880 3.523 1.00 41.22 H new ATOM 0 HB2 ALA A 19 -0.815 -14.110 3.929 1.00 41.22 H new ATOM 0 HB3 ALA A 19 -0.942 -12.628 4.905 1.00 41.22 H new ATOM 277 N PHE A 20 0.164 -9.999 3.698 1.00 14.22 N ATOM 278 CA PHE A 20 0.008 -8.532 3.627 1.00 4.42 C ATOM 279 C PHE A 20 0.439 -7.962 2.254 1.00 43.34 C ATOM 280 O PHE A 20 -0.341 -7.273 1.601 1.00 54.32 O ATOM 281 CB PHE A 20 0.820 -7.848 4.767 1.00 33.52 C ATOM 282 CG PHE A 20 0.651 -6.324 4.836 1.00 72.15 C ATOM 283 CD1 PHE A 20 1.495 -5.467 4.126 1.00 51.44 C ATOM 284 CD2 PHE A 20 -0.367 -5.753 5.595 1.00 10.11 C ATOM 285 CE1 PHE A 20 1.330 -4.100 4.178 1.00 15.42 C ATOM 286 CE2 PHE A 20 -0.531 -4.381 5.647 1.00 4.43 C ATOM 287 CZ PHE A 20 0.320 -3.558 4.937 1.00 62.30 C ATOM 0 H PHE A 20 0.734 -10.309 4.485 1.00 14.22 H new ATOM 0 HA PHE A 20 -1.053 -8.314 3.753 1.00 4.42 H new ATOM 0 HB2 PHE A 20 0.518 -8.279 5.721 1.00 33.52 H new ATOM 0 HB3 PHE A 20 1.877 -8.079 4.633 1.00 33.52 H new ATOM 0 HD1 PHE A 20 2.291 -5.883 3.526 1.00 51.44 H new ATOM 0 HD2 PHE A 20 -1.038 -6.391 6.151 1.00 10.11 H new ATOM 0 HE1 PHE A 20 1.994 -3.454 3.623 1.00 15.42 H new ATOM 0 HE2 PHE A 20 -1.324 -3.954 6.243 1.00 4.43 H new ATOM 0 HZ PHE A 20 0.192 -2.486 4.978 1.00 62.30 H new ATOM 297 N LEU A 21 1.667 -8.296 1.810 1.00 71.23 N ATOM 298 CA LEU A 21 2.274 -7.678 0.604 1.00 53.24 C ATOM 299 C LEU A 21 1.664 -8.291 -0.659 1.00 74.43 C ATOM 300 O LEU A 21 1.593 -7.646 -1.707 1.00 42.31 O ATOM 301 CB LEU A 21 3.811 -7.870 0.586 1.00 35.52 C ATOM 302 CG LEU A 21 4.626 -7.159 1.704 1.00 61.20 C ATOM 303 CD1 LEU A 21 6.114 -7.558 1.606 1.00 3.24 C ATOM 304 CD2 LEU A 21 4.449 -5.618 1.650 1.00 64.31 C ATOM 0 H LEU A 21 2.261 -8.989 2.265 1.00 71.23 H new ATOM 0 HA LEU A 21 2.064 -6.609 0.632 1.00 53.24 H new ATOM 0 HB2 LEU A 21 4.019 -8.938 0.643 1.00 35.52 H new ATOM 0 HB3 LEU A 21 4.184 -7.523 -0.378 1.00 35.52 H new ATOM 0 HG LEU A 21 4.241 -7.487 2.670 1.00 61.20 H new ATOM 0 HD11 LEU A 21 6.678 -7.056 2.392 1.00 3.24 H new ATOM 0 HD12 LEU A 21 6.210 -8.637 1.723 1.00 3.24 H new ATOM 0 HD13 LEU A 21 6.507 -7.263 0.633 1.00 3.24 H new ATOM 0 HD21 LEU A 21 5.033 -5.157 2.446 1.00 64.31 H new ATOM 0 HD22 LEU A 21 4.793 -5.246 0.685 1.00 64.31 H new ATOM 0 HD23 LEU A 21 3.396 -5.368 1.781 1.00 64.31 H new ATOM 316 N THR A 22 1.256 -9.558 -0.516 1.00 53.52 N ATOM 317 CA THR A 22 0.524 -10.313 -1.531 1.00 71.25 C ATOM 318 C THR A 22 -0.810 -9.613 -1.905 1.00 1.31 C ATOM 319 O THR A 22 -1.113 -9.420 -3.090 1.00 14.14 O ATOM 320 CB THR A 22 0.255 -11.748 -0.973 1.00 74.33 C ATOM 321 OG1 THR A 22 1.485 -12.330 -0.524 1.00 64.20 O ATOM 322 CG2 THR A 22 -0.377 -12.669 -2.002 1.00 62.12 C ATOM 0 H THR A 22 1.432 -10.097 0.332 1.00 53.52 H new ATOM 0 HA THR A 22 1.120 -10.369 -2.442 1.00 71.25 H new ATOM 0 HB THR A 22 -0.448 -11.640 -0.147 1.00 74.33 H new ATOM 0 HG1 THR A 22 1.680 -12.022 0.386 1.00 64.20 H new ATOM 0 HG21 THR A 22 -0.541 -13.651 -1.559 1.00 62.12 H new ATOM 0 HG22 THR A 22 -1.331 -12.253 -2.325 1.00 62.12 H new ATOM 0 HG23 THR A 22 0.287 -12.765 -2.861 1.00 62.12 H new ATOM 330 N LYS A 23 -1.581 -9.222 -0.871 1.00 73.23 N ATOM 331 CA LYS A 23 -2.838 -8.470 -1.048 1.00 31.44 C ATOM 332 C LYS A 23 -2.553 -7.042 -1.547 1.00 23.31 C ATOM 333 O LYS A 23 -3.176 -6.588 -2.501 1.00 61.33 O ATOM 334 CB LYS A 23 -3.647 -8.417 0.281 1.00 25.22 C ATOM 335 CG LYS A 23 -4.262 -9.762 0.767 1.00 35.42 C ATOM 336 CD LYS A 23 -5.614 -10.152 0.086 1.00 53.33 C ATOM 337 CE LYS A 23 -5.485 -10.687 -1.351 1.00 12.40 C ATOM 338 NZ LYS A 23 -4.674 -11.931 -1.427 1.00 43.34 N ATOM 0 H LYS A 23 -1.352 -9.417 0.104 1.00 73.23 H new ATOM 0 HA LYS A 23 -3.435 -8.991 -1.797 1.00 31.44 H new ATOM 0 HB2 LYS A 23 -2.992 -8.037 1.065 1.00 25.22 H new ATOM 0 HB3 LYS A 23 -4.455 -7.695 0.162 1.00 25.22 H new ATOM 0 HG2 LYS A 23 -3.540 -10.559 0.591 1.00 35.42 H new ATOM 0 HG3 LYS A 23 -4.418 -9.705 1.844 1.00 35.42 H new ATOM 0 HD2 LYS A 23 -6.107 -10.908 0.697 1.00 53.33 H new ATOM 0 HD3 LYS A 23 -6.264 -9.277 0.076 1.00 53.33 H new ATOM 0 HE2 LYS A 23 -6.479 -10.881 -1.753 1.00 12.40 H new ATOM 0 HE3 LYS A 23 -5.030 -9.922 -1.980 1.00 12.40 H new ATOM 0 HZ1 LYS A 23 -4.770 -12.351 -2.374 1.00 43.34 H new ATOM 0 HZ2 LYS A 23 -3.675 -11.705 -1.249 1.00 43.34 H new ATOM 0 HZ3 LYS A 23 -5.009 -12.608 -0.712 1.00 43.34 H new ATOM 352 N LEU A 24 -1.587 -6.378 -0.884 1.00 41.32 N ATOM 353 CA LEU A 24 -1.224 -4.965 -1.123 1.00 11.25 C ATOM 354 C LEU A 24 -0.826 -4.671 -2.585 1.00 34.22 C ATOM 355 O LEU A 24 -1.389 -3.773 -3.202 1.00 54.23 O ATOM 356 CB LEU A 24 -0.069 -4.553 -0.172 1.00 70.12 C ATOM 357 CG LEU A 24 0.520 -3.121 -0.384 1.00 62.02 C ATOM 358 CD1 LEU A 24 -0.547 -2.023 -0.172 1.00 74.43 C ATOM 359 CD2 LEU A 24 1.759 -2.903 0.507 1.00 53.14 C ATOM 0 H LEU A 24 -1.026 -6.815 -0.153 1.00 41.32 H new ATOM 0 HA LEU A 24 -2.117 -4.375 -0.919 1.00 11.25 H new ATOM 0 HB2 LEU A 24 -0.427 -4.628 0.855 1.00 70.12 H new ATOM 0 HB3 LEU A 24 0.739 -5.276 -0.281 1.00 70.12 H new ATOM 0 HG LEU A 24 0.842 -3.042 -1.422 1.00 62.02 H new ATOM 0 HD11 LEU A 24 -0.097 -1.043 -0.329 1.00 74.43 H new ATOM 0 HD12 LEU A 24 -1.362 -2.166 -0.882 1.00 74.43 H new ATOM 0 HD13 LEU A 24 -0.936 -2.085 0.844 1.00 74.43 H new ATOM 0 HD21 LEU A 24 2.153 -1.900 0.343 1.00 53.14 H new ATOM 0 HD22 LEU A 24 1.479 -3.016 1.554 1.00 53.14 H new ATOM 0 HD23 LEU A 24 2.523 -3.638 0.254 1.00 53.14 H new ATOM 371 N TRP A 25 0.153 -5.419 -3.110 1.00 64.42 N ATOM 372 CA TRP A 25 0.657 -5.247 -4.487 1.00 15.24 C ATOM 373 C TRP A 25 -0.488 -5.374 -5.520 1.00 42.24 C ATOM 374 O TRP A 25 -0.627 -4.528 -6.410 1.00 73.41 O ATOM 375 CB TRP A 25 1.766 -6.293 -4.743 1.00 41.10 C ATOM 376 CG TRP A 25 2.376 -6.266 -6.131 1.00 33.13 C ATOM 377 CD1 TRP A 25 3.393 -5.466 -6.582 1.00 32.21 C ATOM 378 CD2 TRP A 25 2.010 -7.106 -7.236 1.00 74.41 C ATOM 379 NE1 TRP A 25 3.673 -5.762 -7.893 1.00 62.14 N ATOM 380 CE2 TRP A 25 2.840 -6.765 -8.314 1.00 24.53 C ATOM 381 CE3 TRP A 25 1.054 -8.116 -7.410 1.00 20.04 C ATOM 382 CZ2 TRP A 25 2.748 -7.400 -9.548 1.00 14.21 C ATOM 383 CZ3 TRP A 25 0.962 -8.741 -8.638 1.00 34.13 C ATOM 384 CH2 TRP A 25 1.807 -8.382 -9.694 1.00 52.02 C ATOM 0 H TRP A 25 0.622 -6.164 -2.594 1.00 64.42 H new ATOM 0 HA TRP A 25 1.073 -4.246 -4.601 1.00 15.24 H new ATOM 0 HB2 TRP A 25 2.560 -6.142 -4.012 1.00 41.10 H new ATOM 0 HB3 TRP A 25 1.354 -7.286 -4.565 1.00 41.10 H new ATOM 0 HD1 TRP A 25 3.899 -4.715 -5.994 1.00 32.21 H new ATOM 0 HE1 TRP A 25 4.387 -5.308 -8.463 1.00 62.14 H new ATOM 0 HE3 TRP A 25 0.401 -8.400 -6.598 1.00 20.04 H new ATOM 0 HZ2 TRP A 25 3.399 -7.126 -10.365 1.00 14.21 H new ATOM 0 HZ3 TRP A 25 0.227 -9.518 -8.786 1.00 34.13 H new ATOM 0 HH2 TRP A 25 1.714 -8.890 -10.643 1.00 52.02 H new ATOM 395 N THR A 26 -1.327 -6.409 -5.339 1.00 11.24 N ATOM 396 CA THR A 26 -2.504 -6.663 -6.188 1.00 42.40 C ATOM 397 C THR A 26 -3.609 -5.589 -5.974 1.00 10.35 C ATOM 398 O THR A 26 -4.370 -5.286 -6.891 1.00 25.44 O ATOM 399 CB THR A 26 -3.076 -8.089 -5.896 1.00 21.11 C ATOM 400 OG1 THR A 26 -1.997 -9.039 -5.913 1.00 50.34 O ATOM 401 CG2 THR A 26 -4.131 -8.530 -6.925 1.00 75.22 C ATOM 0 H THR A 26 -1.207 -7.097 -4.595 1.00 11.24 H new ATOM 0 HA THR A 26 -2.184 -6.606 -7.228 1.00 42.40 H new ATOM 0 HB THR A 26 -3.560 -8.049 -4.920 1.00 21.11 H new ATOM 0 HG1 THR A 26 -1.678 -9.189 -4.998 1.00 50.34 H new ATOM 0 HG21 THR A 26 -4.492 -9.527 -6.672 1.00 75.22 H new ATOM 0 HG22 THR A 26 -4.965 -7.828 -6.914 1.00 75.22 H new ATOM 0 HG23 THR A 26 -3.684 -8.548 -7.919 1.00 75.22 H new ATOM 409 N LEU A 27 -3.650 -5.011 -4.757 1.00 1.53 N ATOM 410 CA LEU A 27 -4.607 -3.955 -4.351 1.00 10.11 C ATOM 411 C LEU A 27 -4.343 -2.651 -5.118 1.00 41.14 C ATOM 412 O LEU A 27 -5.270 -2.009 -5.626 1.00 4.12 O ATOM 413 CB LEU A 27 -4.467 -3.731 -2.810 1.00 61.45 C ATOM 414 CG LEU A 27 -5.248 -2.551 -2.177 1.00 53.33 C ATOM 415 CD1 LEU A 27 -6.751 -2.704 -2.407 1.00 31.34 C ATOM 416 CD2 LEU A 27 -4.905 -2.407 -0.673 1.00 74.01 C ATOM 0 H LEU A 27 -3.005 -5.269 -4.010 1.00 1.53 H new ATOM 0 HA LEU A 27 -5.624 -4.268 -4.589 1.00 10.11 H new ATOM 0 HB2 LEU A 27 -4.780 -4.647 -2.309 1.00 61.45 H new ATOM 0 HB3 LEU A 27 -3.409 -3.591 -2.587 1.00 61.45 H new ATOM 0 HG LEU A 27 -4.938 -1.630 -2.671 1.00 53.33 H new ATOM 0 HD11 LEU A 27 -7.276 -1.863 -1.953 1.00 31.34 H new ATOM 0 HD12 LEU A 27 -6.955 -2.724 -3.478 1.00 31.34 H new ATOM 0 HD13 LEU A 27 -7.096 -3.634 -1.955 1.00 31.34 H new ATOM 0 HD21 LEU A 27 -5.465 -1.573 -0.250 1.00 74.01 H new ATOM 0 HD22 LEU A 27 -5.172 -3.325 -0.149 1.00 74.01 H new ATOM 0 HD23 LEU A 27 -3.837 -2.222 -0.560 1.00 74.01 H new ATOM 428 N VAL A 28 -3.059 -2.278 -5.180 1.00 30.52 N ATOM 429 CA VAL A 28 -2.593 -1.117 -5.949 1.00 34.22 C ATOM 430 C VAL A 28 -2.856 -1.320 -7.462 1.00 51.32 C ATOM 431 O VAL A 28 -3.220 -0.385 -8.180 1.00 10.22 O ATOM 432 CB VAL A 28 -1.059 -0.870 -5.722 1.00 73.44 C ATOM 433 CG1 VAL A 28 -0.620 0.440 -6.383 1.00 11.23 C ATOM 434 CG2 VAL A 28 -0.672 -0.884 -4.226 1.00 5.03 C ATOM 0 H VAL A 28 -2.311 -2.775 -4.696 1.00 30.52 H new ATOM 0 HA VAL A 28 -3.150 -0.248 -5.598 1.00 34.22 H new ATOM 0 HB VAL A 28 -0.530 -1.698 -6.193 1.00 73.44 H new ATOM 0 HG11 VAL A 28 0.446 0.593 -6.214 1.00 11.23 H new ATOM 0 HG12 VAL A 28 -0.814 0.390 -7.454 1.00 11.23 H new ATOM 0 HG13 VAL A 28 -1.179 1.270 -5.951 1.00 11.23 H new ATOM 0 HG21 VAL A 28 0.399 -0.708 -4.126 1.00 5.03 H new ATOM 0 HG22 VAL A 28 -1.219 -0.101 -3.701 1.00 5.03 H new ATOM 0 HG23 VAL A 28 -0.923 -1.853 -3.794 1.00 5.03 H new ATOM 444 N SER A 29 -2.668 -2.572 -7.917 1.00 13.31 N ATOM 445 CA SER A 29 -2.854 -2.971 -9.325 1.00 53.54 C ATOM 446 C SER A 29 -4.360 -3.058 -9.700 1.00 74.15 C ATOM 447 O SER A 29 -4.715 -3.008 -10.884 1.00 11.31 O ATOM 448 CB SER A 29 -2.175 -4.347 -9.562 1.00 41.34 C ATOM 449 OG SER A 29 -0.793 -4.327 -9.215 1.00 50.42 O ATOM 0 H SER A 29 -2.380 -3.342 -7.313 1.00 13.31 H new ATOM 0 HA SER A 29 -2.396 -2.212 -9.959 1.00 53.54 H new ATOM 0 HB2 SER A 29 -2.686 -5.109 -8.974 1.00 41.34 H new ATOM 0 HB3 SER A 29 -2.282 -4.628 -10.610 1.00 41.34 H new ATOM 0 HG SER A 29 -0.696 -4.474 -8.251 1.00 50.42 H new ATOM 455 N ASP A 30 -5.229 -3.183 -8.681 1.00 55.43 N ATOM 456 CA ASP A 30 -6.675 -3.446 -8.860 1.00 31.04 C ATOM 457 C ASP A 30 -7.418 -2.168 -9.344 1.00 15.23 C ATOM 458 O ASP A 30 -7.226 -1.103 -8.755 1.00 43.52 O ATOM 459 CB ASP A 30 -7.275 -3.955 -7.520 1.00 64.21 C ATOM 460 CG ASP A 30 -8.733 -4.418 -7.645 1.00 33.33 C ATOM 461 OD1 ASP A 30 -9.644 -3.583 -7.503 1.00 41.33 O ATOM 462 OD2 ASP A 30 -8.979 -5.622 -7.884 1.00 23.34 O ATOM 0 H ASP A 30 -4.950 -3.105 -7.703 1.00 55.43 H new ATOM 0 HA ASP A 30 -6.804 -4.211 -9.626 1.00 31.04 H new ATOM 0 HB2 ASP A 30 -6.669 -4.782 -7.149 1.00 64.21 H new ATOM 0 HB3 ASP A 30 -7.216 -3.159 -6.778 1.00 64.21 H new ATOM 467 N PRO A 31 -8.297 -2.266 -10.409 1.00 21.11 N ATOM 468 CA PRO A 31 -9.003 -1.088 -10.992 1.00 74.21 C ATOM 469 C PRO A 31 -10.152 -0.528 -10.104 1.00 4.32 C ATOM 470 O PRO A 31 -10.461 0.668 -10.176 1.00 13.52 O ATOM 471 CB PRO A 31 -9.544 -1.637 -12.337 1.00 22.03 C ATOM 472 CG PRO A 31 -9.761 -3.096 -12.086 1.00 24.22 C ATOM 473 CD PRO A 31 -8.644 -3.521 -11.149 1.00 71.14 C ATOM 0 HA PRO A 31 -8.334 -0.234 -11.094 1.00 74.21 H new ATOM 0 HB2 PRO A 31 -10.471 -1.141 -12.624 1.00 22.03 H new ATOM 0 HB3 PRO A 31 -8.833 -1.475 -13.147 1.00 22.03 H new ATOM 0 HG2 PRO A 31 -10.738 -3.275 -11.637 1.00 24.22 H new ATOM 0 HG3 PRO A 31 -9.729 -3.663 -13.017 1.00 24.22 H new ATOM 0 HD2 PRO A 31 -8.971 -4.308 -10.469 1.00 71.14 H new ATOM 0 HD3 PRO A 31 -7.787 -3.910 -11.699 1.00 71.14 H new ATOM 481 N ASP A 32 -10.781 -1.396 -9.281 1.00 24.42 N ATOM 482 CA ASP A 32 -11.887 -0.999 -8.368 1.00 14.32 C ATOM 483 C ASP A 32 -11.344 -0.111 -7.237 1.00 22.21 C ATOM 484 O ASP A 32 -11.917 0.936 -6.926 1.00 23.15 O ATOM 485 CB ASP A 32 -12.590 -2.268 -7.793 1.00 62.52 C ATOM 486 CG ASP A 32 -13.582 -1.996 -6.642 1.00 63.24 C ATOM 487 OD1 ASP A 32 -14.757 -1.687 -6.916 1.00 34.45 O ATOM 488 OD2 ASP A 32 -13.195 -2.128 -5.455 1.00 54.02 O ATOM 0 H ASP A 32 -10.542 -2.386 -9.227 1.00 24.42 H new ATOM 0 HA ASP A 32 -12.625 -0.425 -8.929 1.00 14.32 H new ATOM 0 HB2 ASP A 32 -13.123 -2.768 -8.602 1.00 62.52 H new ATOM 0 HB3 ASP A 32 -11.826 -2.960 -7.439 1.00 62.52 H new ATOM 493 N THR A 33 -10.192 -0.513 -6.684 1.00 44.13 N ATOM 494 CA THR A 33 -9.583 0.159 -5.523 1.00 65.34 C ATOM 495 C THR A 33 -8.514 1.180 -5.963 1.00 20.40 C ATOM 496 O THR A 33 -7.964 1.893 -5.124 1.00 70.33 O ATOM 497 CB THR A 33 -8.983 -0.881 -4.526 1.00 51.43 C ATOM 498 OG1 THR A 33 -8.207 -1.853 -5.239 1.00 44.12 O ATOM 499 CG2 THR A 33 -10.072 -1.606 -3.706 1.00 41.41 C ATOM 0 H THR A 33 -9.656 -1.310 -7.026 1.00 44.13 H new ATOM 0 HA THR A 33 -10.372 0.706 -5.007 1.00 65.34 H new ATOM 0 HB THR A 33 -8.352 -0.328 -3.830 1.00 51.43 H new ATOM 0 HG1 THR A 33 -7.262 -1.594 -5.221 1.00 44.12 H new ATOM 0 HG21 THR A 33 -9.603 -2.319 -3.028 1.00 41.41 H new ATOM 0 HG22 THR A 33 -10.640 -0.876 -3.129 1.00 41.41 H new ATOM 0 HG23 THR A 33 -10.743 -2.136 -4.381 1.00 41.41 H new ATOM 507 N ASP A 34 -8.287 1.280 -7.298 1.00 35.05 N ATOM 508 CA ASP A 34 -7.342 2.244 -7.926 1.00 21.01 C ATOM 509 C ASP A 34 -7.667 3.699 -7.531 1.00 12.11 C ATOM 510 O ASP A 34 -6.773 4.547 -7.418 1.00 12.31 O ATOM 511 CB ASP A 34 -7.395 2.073 -9.472 1.00 62.20 C ATOM 512 CG ASP A 34 -6.504 3.056 -10.251 1.00 62.41 C ATOM 513 OD1 ASP A 34 -5.279 2.823 -10.334 1.00 34.51 O ATOM 514 OD2 ASP A 34 -7.023 4.060 -10.793 1.00 10.20 O ATOM 0 H ASP A 34 -8.761 0.686 -7.979 1.00 35.05 H new ATOM 0 HA ASP A 34 -6.336 2.031 -7.565 1.00 21.01 H new ATOM 0 HB2 ASP A 34 -7.098 1.055 -9.723 1.00 62.20 H new ATOM 0 HB3 ASP A 34 -8.426 2.195 -9.804 1.00 62.20 H new ATOM 519 N ALA A 35 -8.967 3.953 -7.297 1.00 65.13 N ATOM 520 CA ALA A 35 -9.483 5.269 -6.885 1.00 32.23 C ATOM 521 C ALA A 35 -8.883 5.735 -5.537 1.00 73.32 C ATOM 522 O ALA A 35 -8.611 6.926 -5.354 1.00 74.24 O ATOM 523 CB ALA A 35 -11.020 5.227 -6.810 1.00 64.44 C ATOM 0 H ALA A 35 -9.694 3.244 -7.390 1.00 65.13 H new ATOM 0 HA ALA A 35 -9.177 5.997 -7.637 1.00 32.23 H new ATOM 0 HB1 ALA A 35 -11.396 6.203 -6.505 1.00 64.44 H new ATOM 0 HB2 ALA A 35 -11.425 4.972 -7.789 1.00 64.44 H new ATOM 0 HB3 ALA A 35 -11.328 4.476 -6.083 1.00 64.44 H new ATOM 529 N LEU A 36 -8.661 4.785 -4.608 1.00 14.22 N ATOM 530 CA LEU A 36 -8.165 5.085 -3.244 1.00 1.01 C ATOM 531 C LEU A 36 -6.726 4.574 -3.030 1.00 64.42 C ATOM 532 O LEU A 36 -6.145 4.822 -1.969 1.00 54.22 O ATOM 533 CB LEU A 36 -9.122 4.483 -2.173 1.00 31.12 C ATOM 534 CG LEU A 36 -10.601 4.991 -2.200 1.00 63.23 C ATOM 535 CD1 LEU A 36 -11.434 4.322 -1.083 1.00 64.11 C ATOM 536 CD2 LEU A 36 -10.672 6.537 -2.096 1.00 41.42 C ATOM 0 H LEU A 36 -8.819 3.792 -4.777 1.00 14.22 H new ATOM 0 HA LEU A 36 -8.146 6.169 -3.133 1.00 1.01 H new ATOM 0 HB2 LEU A 36 -9.130 3.400 -2.292 1.00 31.12 H new ATOM 0 HB3 LEU A 36 -8.707 4.692 -1.187 1.00 31.12 H new ATOM 0 HG LEU A 36 -11.031 4.706 -3.161 1.00 63.23 H new ATOM 0 HD11 LEU A 36 -12.459 4.691 -1.122 1.00 64.11 H new ATOM 0 HD12 LEU A 36 -11.432 3.241 -1.225 1.00 64.11 H new ATOM 0 HD13 LEU A 36 -10.999 4.561 -0.112 1.00 64.11 H new ATOM 0 HD21 LEU A 36 -11.714 6.856 -2.118 1.00 41.42 H new ATOM 0 HD22 LEU A 36 -10.213 6.860 -1.162 1.00 41.42 H new ATOM 0 HD23 LEU A 36 -10.139 6.983 -2.935 1.00 41.42 H new ATOM 548 N ILE A 37 -6.168 3.838 -4.017 1.00 5.03 N ATOM 549 CA ILE A 37 -4.774 3.372 -3.965 1.00 2.31 C ATOM 550 C ILE A 37 -4.266 3.026 -5.382 1.00 44.12 C ATOM 551 O ILE A 37 -4.728 2.075 -6.020 1.00 74.11 O ATOM 552 CB ILE A 37 -4.599 2.165 -2.965 1.00 44.43 C ATOM 553 CG1 ILE A 37 -3.101 1.740 -2.822 1.00 73.10 C ATOM 554 CG2 ILE A 37 -5.506 0.958 -3.331 1.00 43.21 C ATOM 555 CD1 ILE A 37 -2.844 0.722 -1.719 1.00 21.22 C ATOM 0 H ILE A 37 -6.668 3.556 -4.860 1.00 5.03 H new ATOM 0 HA ILE A 37 -4.159 4.186 -3.579 1.00 2.31 H new ATOM 0 HB ILE A 37 -4.929 2.521 -1.989 1.00 44.43 H new ATOM 0 HG12 ILE A 37 -2.761 1.325 -3.771 1.00 73.10 H new ATOM 0 HG13 ILE A 37 -2.500 2.628 -2.629 1.00 73.10 H new ATOM 0 HG21 ILE A 37 -5.348 0.153 -2.613 1.00 43.21 H new ATOM 0 HG22 ILE A 37 -6.551 1.267 -3.306 1.00 43.21 H new ATOM 0 HG23 ILE A 37 -5.256 0.605 -4.332 1.00 43.21 H new ATOM 0 HD11 ILE A 37 -1.781 0.481 -1.687 1.00 21.22 H new ATOM 0 HD12 ILE A 37 -3.151 1.139 -0.760 1.00 21.22 H new ATOM 0 HD13 ILE A 37 -3.416 -0.184 -1.920 1.00 21.22 H new ATOM 567 N CYS A 38 -3.303 3.822 -5.873 1.00 75.23 N ATOM 568 CA CYS A 38 -2.788 3.709 -7.245 1.00 5.41 C ATOM 569 C CYS A 38 -1.265 3.903 -7.266 1.00 14.22 C ATOM 570 O CYS A 38 -0.722 4.706 -6.500 1.00 74.42 O ATOM 571 CB CYS A 38 -3.474 4.761 -8.122 1.00 54.40 C ATOM 572 SG CYS A 38 -3.275 6.445 -7.525 1.00 51.30 S ATOM 0 H CYS A 38 -2.860 4.562 -5.329 1.00 75.23 H new ATOM 0 HA CYS A 38 -3.005 2.714 -7.633 1.00 5.41 H new ATOM 0 HB2 CYS A 38 -3.073 4.694 -9.134 1.00 54.40 H new ATOM 0 HB3 CYS A 38 -4.538 4.531 -8.184 1.00 54.40 H new ATOM 0 HG CYS A 38 -2.162 6.541 -6.859 1.00 51.30 H new ATOM 578 N TRP A 39 -0.593 3.173 -8.173 1.00 14.21 N ATOM 579 CA TRP A 39 0.885 3.168 -8.298 1.00 71.12 C ATOM 580 C TRP A 39 1.394 4.438 -8.977 1.00 43.14 C ATOM 581 O TRP A 39 0.699 5.024 -9.820 1.00 11.13 O ATOM 582 CB TRP A 39 1.386 1.897 -9.065 1.00 23.12 C ATOM 583 CG TRP A 39 0.538 1.492 -10.259 1.00 61.24 C ATOM 584 CD1 TRP A 39 -0.526 0.629 -10.245 1.00 11.14 C ATOM 585 CD2 TRP A 39 0.667 1.934 -11.623 1.00 13.41 C ATOM 586 NE1 TRP A 39 -1.066 0.524 -11.497 1.00 21.43 N ATOM 587 CE2 TRP A 39 -0.352 1.304 -12.363 1.00 3.21 C ATOM 588 CE3 TRP A 39 1.539 2.798 -12.288 1.00 51.21 C ATOM 589 CZ2 TRP A 39 -0.523 1.512 -13.726 1.00 1.43 C ATOM 590 CZ3 TRP A 39 1.371 3.006 -13.643 1.00 1.52 C ATOM 591 CH2 TRP A 39 0.345 2.364 -14.352 1.00 64.54 C ATOM 0 H TRP A 39 -1.058 2.564 -8.847 1.00 14.21 H new ATOM 0 HA TRP A 39 1.293 3.140 -7.288 1.00 71.12 H new ATOM 0 HB2 TRP A 39 2.406 2.075 -9.406 1.00 23.12 H new ATOM 0 HB3 TRP A 39 1.425 1.061 -8.366 1.00 23.12 H new ATOM 0 HD1 TRP A 39 -0.886 0.107 -9.371 1.00 11.14 H new ATOM 0 HE1 TRP A 39 -1.874 -0.046 -11.745 1.00 21.43 H new ATOM 0 HE3 TRP A 39 2.333 3.296 -11.751 1.00 51.21 H new ATOM 0 HZ2 TRP A 39 -1.313 1.018 -14.272 1.00 1.43 H new ATOM 0 HZ3 TRP A 39 2.040 3.674 -14.165 1.00 1.52 H new ATOM 0 HH2 TRP A 39 0.238 2.546 -15.411 1.00 64.54 H new ATOM 602 N SER A 40 2.614 4.846 -8.600 1.00 31.24 N ATOM 603 CA SER A 40 3.330 5.967 -9.222 1.00 5.53 C ATOM 604 C SER A 40 3.814 5.544 -10.639 1.00 22.34 C ATOM 605 O SER A 40 4.003 4.349 -10.858 1.00 20.35 O ATOM 606 CB SER A 40 4.522 6.350 -8.309 1.00 3.23 C ATOM 607 OG SER A 40 4.105 6.547 -6.964 1.00 62.22 O ATOM 0 H SER A 40 3.137 4.401 -7.846 1.00 31.24 H new ATOM 0 HA SER A 40 2.678 6.834 -9.334 1.00 5.53 H new ATOM 0 HB2 SER A 40 5.277 5.565 -8.346 1.00 3.23 H new ATOM 0 HB3 SER A 40 4.990 7.260 -8.683 1.00 3.23 H new ATOM 0 HG SER A 40 3.756 7.457 -6.860 1.00 62.22 H new ATOM 613 N PRO A 41 4.022 6.507 -11.614 1.00 4.22 N ATOM 614 CA PRO A 41 4.407 6.208 -13.034 1.00 13.31 C ATOM 615 C PRO A 41 5.499 5.119 -13.193 1.00 21.34 C ATOM 616 O PRO A 41 5.376 4.244 -14.061 1.00 32.14 O ATOM 617 CB PRO A 41 4.901 7.588 -13.580 1.00 63.32 C ATOM 618 CG PRO A 41 4.907 8.519 -12.392 1.00 55.34 C ATOM 619 CD PRO A 41 3.873 7.973 -11.438 1.00 12.41 C ATOM 0 HA PRO A 41 3.562 5.789 -13.581 1.00 13.31 H new ATOM 0 HB2 PRO A 41 5.896 7.503 -14.016 1.00 63.32 H new ATOM 0 HB3 PRO A 41 4.240 7.958 -14.364 1.00 63.32 H new ATOM 0 HG2 PRO A 41 5.891 8.551 -11.925 1.00 55.34 H new ATOM 0 HG3 PRO A 41 4.663 9.538 -12.692 1.00 55.34 H new ATOM 0 HD2 PRO A 41 4.066 8.281 -10.410 1.00 12.41 H new ATOM 0 HD3 PRO A 41 2.868 8.313 -11.690 1.00 12.41 H new ATOM 627 N SER A 42 6.544 5.181 -12.338 1.00 51.02 N ATOM 628 CA SER A 42 7.652 4.201 -12.341 1.00 71.21 C ATOM 629 C SER A 42 7.170 2.806 -11.891 1.00 22.14 C ATOM 630 O SER A 42 7.591 1.786 -12.445 1.00 62.44 O ATOM 631 CB SER A 42 8.798 4.674 -11.417 1.00 54.20 C ATOM 632 OG SER A 42 9.227 5.982 -11.764 1.00 15.01 O ATOM 0 H SER A 42 6.643 5.908 -11.630 1.00 51.02 H new ATOM 0 HA SER A 42 8.020 4.127 -13.364 1.00 71.21 H new ATOM 0 HB2 SER A 42 8.462 4.661 -10.380 1.00 54.20 H new ATOM 0 HB3 SER A 42 9.637 3.982 -11.489 1.00 54.20 H new ATOM 0 HG SER A 42 9.951 6.259 -11.164 1.00 15.01 H new ATOM 638 N GLY A 43 6.292 2.788 -10.869 1.00 12.32 N ATOM 639 CA GLY A 43 5.751 1.542 -10.306 1.00 5.52 C ATOM 640 C GLY A 43 6.529 1.058 -9.085 1.00 44.41 C ATOM 641 O GLY A 43 6.309 -0.060 -8.611 1.00 4.42 O ATOM 0 H GLY A 43 5.942 3.632 -10.415 1.00 12.32 H new ATOM 0 HA2 GLY A 43 4.708 1.697 -10.029 1.00 5.52 H new ATOM 0 HA3 GLY A 43 5.766 0.766 -11.072 1.00 5.52 H new ATOM 645 N ASN A 44 7.407 1.937 -8.561 1.00 25.44 N ATOM 646 CA ASN A 44 8.320 1.633 -7.433 1.00 62.35 C ATOM 647 C ASN A 44 7.678 2.002 -6.077 1.00 24.15 C ATOM 648 O ASN A 44 8.252 1.747 -5.006 1.00 33.10 O ATOM 649 CB ASN A 44 9.669 2.391 -7.609 1.00 12.02 C ATOM 650 CG ASN A 44 9.541 3.923 -7.508 1.00 42.55 C ATOM 651 OD1 ASN A 44 8.529 4.519 -7.906 1.00 41.34 O ATOM 652 ND2 ASN A 44 10.562 4.567 -6.970 1.00 22.14 N ATOM 0 H ASN A 44 7.506 2.890 -8.911 1.00 25.44 H new ATOM 0 HA ASN A 44 8.510 0.560 -7.437 1.00 62.35 H new ATOM 0 HB2 ASN A 44 10.371 2.044 -6.851 1.00 12.02 H new ATOM 0 HB3 ASN A 44 10.095 2.135 -8.579 1.00 12.02 H new ATOM 0 HD21 ASN A 44 10.531 5.582 -6.873 1.00 22.14 H new ATOM 0 HD22 ASN A 44 11.381 4.049 -6.652 1.00 22.14 H new ATOM 659 N SER A 45 6.487 2.609 -6.142 1.00 42.53 N ATOM 660 CA SER A 45 5.773 3.137 -4.976 1.00 30.55 C ATOM 661 C SER A 45 4.265 3.191 -5.271 1.00 52.32 C ATOM 662 O SER A 45 3.835 2.961 -6.415 1.00 32.24 O ATOM 663 CB SER A 45 6.331 4.539 -4.618 1.00 24.04 C ATOM 664 OG SER A 45 6.420 5.377 -5.760 1.00 52.10 O ATOM 0 H SER A 45 5.986 2.749 -7.019 1.00 42.53 H new ATOM 0 HA SER A 45 5.925 2.481 -4.119 1.00 30.55 H new ATOM 0 HB2 SER A 45 5.688 5.007 -3.873 1.00 24.04 H new ATOM 0 HB3 SER A 45 7.317 4.433 -4.167 1.00 24.04 H new ATOM 0 HG SER A 45 5.524 5.687 -6.009 1.00 52.10 H new ATOM 670 N PHE A 46 3.462 3.476 -4.231 1.00 42.12 N ATOM 671 CA PHE A 46 1.998 3.594 -4.354 1.00 72.33 C ATOM 672 C PHE A 46 1.479 4.726 -3.461 1.00 14.35 C ATOM 673 O PHE A 46 2.032 4.975 -2.393 1.00 24.02 O ATOM 674 CB PHE A 46 1.306 2.255 -3.987 1.00 21.12 C ATOM 675 CG PHE A 46 1.517 1.755 -2.547 1.00 15.21 C ATOM 676 CD1 PHE A 46 2.641 1.001 -2.208 1.00 64.33 C ATOM 677 CD2 PHE A 46 0.584 2.026 -1.539 1.00 64.53 C ATOM 678 CE1 PHE A 46 2.826 0.539 -0.919 1.00 33.42 C ATOM 679 CE2 PHE A 46 0.772 1.561 -0.250 1.00 44.54 C ATOM 680 CZ PHE A 46 1.893 0.818 0.058 1.00 3.10 C ATOM 0 H PHE A 46 3.808 3.631 -3.284 1.00 42.12 H new ATOM 0 HA PHE A 46 1.758 3.829 -5.391 1.00 72.33 H new ATOM 0 HB2 PHE A 46 0.235 2.364 -4.159 1.00 21.12 H new ATOM 0 HB3 PHE A 46 1.662 1.486 -4.673 1.00 21.12 H new ATOM 0 HD1 PHE A 46 3.378 0.775 -2.965 1.00 64.33 H new ATOM 0 HD2 PHE A 46 -0.296 2.607 -1.771 1.00 64.53 H new ATOM 0 HE1 PHE A 46 3.703 -0.042 -0.676 1.00 33.42 H new ATOM 0 HE2 PHE A 46 0.042 1.779 0.515 1.00 44.54 H new ATOM 0 HZ PHE A 46 2.040 0.455 1.064 1.00 3.10 H new ATOM 690 N HIS A 47 0.384 5.363 -3.901 1.00 43.12 N ATOM 691 CA HIS A 47 -0.267 6.476 -3.192 1.00 4.15 C ATOM 692 C HIS A 47 -1.580 5.969 -2.602 1.00 40.20 C ATOM 693 O HIS A 47 -2.224 5.105 -3.194 1.00 41.44 O ATOM 694 CB HIS A 47 -0.552 7.648 -4.164 1.00 65.45 C ATOM 695 CG HIS A 47 0.677 8.204 -4.830 1.00 23.32 C ATOM 696 ND1 HIS A 47 1.233 9.406 -4.485 1.00 54.40 N ATOM 697 CD2 HIS A 47 1.448 7.717 -5.828 1.00 14.53 C ATOM 698 CE1 HIS A 47 2.284 9.634 -5.229 1.00 24.53 C ATOM 699 NE2 HIS A 47 2.443 8.628 -6.054 1.00 45.32 N ATOM 0 H HIS A 47 -0.082 5.116 -4.774 1.00 43.12 H new ATOM 0 HA HIS A 47 0.391 6.839 -2.402 1.00 4.15 H new ATOM 0 HB2 HIS A 47 -1.247 7.308 -4.932 1.00 65.45 H new ATOM 0 HB3 HIS A 47 -1.049 8.448 -3.616 1.00 65.45 H new ATOM 0 HD1 HIS A 47 0.881 10.029 -3.758 1.00 54.40 H new ATOM 0 HD2 HIS A 47 1.305 6.782 -6.350 1.00 14.53 H new ATOM 0 HE1 HIS A 47 2.917 10.507 -5.173 1.00 24.53 H new ATOM 708 N VAL A 48 -1.970 6.513 -1.445 1.00 25.31 N ATOM 709 CA VAL A 48 -3.240 6.186 -0.780 1.00 13.24 C ATOM 710 C VAL A 48 -4.023 7.492 -0.583 1.00 64.14 C ATOM 711 O VAL A 48 -3.467 8.489 -0.102 1.00 13.53 O ATOM 712 CB VAL A 48 -3.021 5.467 0.607 1.00 14.53 C ATOM 713 CG1 VAL A 48 -4.368 5.113 1.266 1.00 20.41 C ATOM 714 CG2 VAL A 48 -2.115 4.219 0.464 1.00 72.41 C ATOM 0 H VAL A 48 -1.410 7.198 -0.938 1.00 25.31 H new ATOM 0 HA VAL A 48 -3.796 5.489 -1.407 1.00 13.24 H new ATOM 0 HB VAL A 48 -2.504 6.167 1.264 1.00 14.53 H new ATOM 0 HG11 VAL A 48 -4.187 4.618 2.220 1.00 20.41 H new ATOM 0 HG12 VAL A 48 -4.942 6.024 1.433 1.00 20.41 H new ATOM 0 HG13 VAL A 48 -4.929 4.445 0.612 1.00 20.41 H new ATOM 0 HG21 VAL A 48 -1.986 3.749 1.439 1.00 72.41 H new ATOM 0 HG22 VAL A 48 -2.578 3.510 -0.222 1.00 72.41 H new ATOM 0 HG23 VAL A 48 -1.142 4.518 0.074 1.00 72.41 H new ATOM 724 N PHE A 49 -5.305 7.463 -0.972 1.00 23.01 N ATOM 725 CA PHE A 49 -6.211 8.624 -0.922 1.00 12.12 C ATOM 726 C PHE A 49 -7.381 8.314 0.006 1.00 31.13 C ATOM 727 O PHE A 49 -7.850 7.162 0.049 1.00 41.01 O ATOM 728 CB PHE A 49 -6.743 8.950 -2.338 1.00 71.23 C ATOM 729 CG PHE A 49 -5.638 9.277 -3.338 1.00 13.43 C ATOM 730 CD1 PHE A 49 -4.953 10.489 -3.270 1.00 32.21 C ATOM 731 CD2 PHE A 49 -5.270 8.365 -4.331 1.00 72.14 C ATOM 732 CE1 PHE A 49 -3.944 10.785 -4.163 1.00 23.23 C ATOM 733 CE2 PHE A 49 -4.256 8.665 -5.222 1.00 21.23 C ATOM 734 CZ PHE A 49 -3.594 9.874 -5.137 1.00 21.43 C ATOM 0 H PHE A 49 -5.751 6.621 -1.336 1.00 23.01 H new ATOM 0 HA PHE A 49 -5.662 9.487 -0.545 1.00 12.12 H new ATOM 0 HB2 PHE A 49 -7.318 8.100 -2.707 1.00 71.23 H new ATOM 0 HB3 PHE A 49 -7.428 9.795 -2.275 1.00 71.23 H new ATOM 0 HD1 PHE A 49 -5.216 11.207 -2.507 1.00 32.21 H new ATOM 0 HD2 PHE A 49 -5.782 7.417 -4.403 1.00 72.14 H new ATOM 0 HE1 PHE A 49 -3.428 11.731 -4.099 1.00 23.23 H new ATOM 0 HE2 PHE A 49 -3.981 7.953 -5.986 1.00 21.23 H new ATOM 0 HZ PHE A 49 -2.802 10.106 -5.834 1.00 21.43 H new ATOM 744 N ASP A 50 -7.868 9.367 0.693 1.00 70.30 N ATOM 745 CA ASP A 50 -8.969 9.273 1.662 1.00 43.14 C ATOM 746 C ASP A 50 -8.688 8.178 2.720 1.00 74.41 C ATOM 747 O ASP A 50 -9.314 7.118 2.693 1.00 74.25 O ATOM 748 CB ASP A 50 -10.344 9.034 0.963 1.00 30.21 C ATOM 749 CG ASP A 50 -10.834 10.245 0.149 1.00 44.03 C ATOM 750 OD1 ASP A 50 -10.307 10.494 -0.958 1.00 52.14 O ATOM 751 OD2 ASP A 50 -11.764 10.952 0.609 1.00 51.13 O ATOM 0 H ASP A 50 -7.502 10.313 0.587 1.00 70.30 H new ATOM 0 HA ASP A 50 -9.029 10.234 2.173 1.00 43.14 H new ATOM 0 HB2 ASP A 50 -10.262 8.171 0.303 1.00 30.21 H new ATOM 0 HB3 ASP A 50 -11.090 8.788 1.719 1.00 30.21 H new ATOM 756 N GLN A 51 -7.714 8.452 3.619 1.00 21.42 N ATOM 757 CA GLN A 51 -7.259 7.507 4.687 1.00 30.10 C ATOM 758 C GLN A 51 -8.433 6.857 5.458 1.00 73.11 C ATOM 759 O GLN A 51 -8.417 5.659 5.724 1.00 15.41 O ATOM 760 CB GLN A 51 -6.318 8.225 5.700 1.00 65.44 C ATOM 761 CG GLN A 51 -5.107 8.949 5.086 1.00 15.13 C ATOM 762 CD GLN A 51 -4.193 8.042 4.272 1.00 32.53 C ATOM 763 OE1 GLN A 51 -3.220 7.435 4.930 1.00 4.34 O flip ATOM 764 NE2 GLN A 51 -4.354 7.895 3.061 1.00 4.54 N flip ATOM 0 H GLN A 51 -7.213 9.340 3.631 1.00 21.42 H new ATOM 0 HA GLN A 51 -6.717 6.713 4.173 1.00 30.10 H new ATOM 0 HB2 GLN A 51 -6.905 8.951 6.262 1.00 65.44 H new ATOM 0 HB3 GLN A 51 -5.953 7.488 6.415 1.00 65.44 H new ATOM 0 HG2 GLN A 51 -5.465 9.756 4.447 1.00 15.13 H new ATOM 0 HG3 GLN A 51 -4.527 9.409 5.886 1.00 15.13 H new ATOM 0 HE21 GLN A 51 -5.116 8.379 2.585 1.00 4.54 H new ATOM 0 HE22 GLN A 51 -3.726 7.289 2.533 1.00 4.54 H new ATOM 773 N GLY A 52 -9.449 7.674 5.763 1.00 43.12 N ATOM 774 CA GLY A 52 -10.645 7.234 6.477 1.00 75.41 C ATOM 775 C GLY A 52 -11.490 6.248 5.668 1.00 44.33 C ATOM 776 O GLY A 52 -11.871 5.201 6.183 1.00 32.42 O ATOM 0 H GLY A 52 -9.460 8.664 5.518 1.00 43.12 H new ATOM 0 HA2 GLY A 52 -10.350 6.767 7.417 1.00 75.41 H new ATOM 0 HA3 GLY A 52 -11.252 8.103 6.730 1.00 75.41 H new ATOM 780 N GLN A 53 -11.733 6.573 4.374 1.00 34.54 N ATOM 781 CA GLN A 53 -12.604 5.763 3.487 1.00 74.32 C ATOM 782 C GLN A 53 -11.909 4.448 3.090 1.00 54.33 C ATOM 783 O GLN A 53 -12.514 3.370 3.144 1.00 73.25 O ATOM 784 CB GLN A 53 -12.999 6.584 2.231 1.00 0.51 C ATOM 785 CG GLN A 53 -13.926 5.867 1.217 1.00 11.34 C ATOM 786 CD GLN A 53 -15.256 5.375 1.803 1.00 62.33 C ATOM 787 OE1 GLN A 53 -15.797 5.939 2.754 1.00 1.42 O ATOM 788 NE2 GLN A 53 -15.806 4.325 1.225 1.00 63.21 N ATOM 0 H GLN A 53 -11.335 7.395 3.920 1.00 34.54 H new ATOM 0 HA GLN A 53 -13.513 5.507 4.031 1.00 74.32 H new ATOM 0 HB2 GLN A 53 -13.491 7.499 2.559 1.00 0.51 H new ATOM 0 HB3 GLN A 53 -12.087 6.881 1.713 1.00 0.51 H new ATOM 0 HG2 GLN A 53 -14.137 6.549 0.393 1.00 11.34 H new ATOM 0 HG3 GLN A 53 -13.392 5.015 0.797 1.00 11.34 H new ATOM 0 HE21 GLN A 53 -15.340 3.873 0.438 1.00 63.21 H new ATOM 0 HE22 GLN A 53 -16.698 3.965 1.565 1.00 63.21 H new ATOM 797 N PHE A 54 -10.630 4.571 2.704 1.00 41.22 N ATOM 798 CA PHE A 54 -9.728 3.444 2.415 1.00 4.20 C ATOM 799 C PHE A 54 -9.685 2.463 3.600 1.00 60.33 C ATOM 800 O PHE A 54 -9.839 1.254 3.429 1.00 24.33 O ATOM 801 CB PHE A 54 -8.311 4.014 2.098 1.00 32.21 C ATOM 802 CG PHE A 54 -7.210 2.982 1.843 1.00 12.22 C ATOM 803 CD1 PHE A 54 -6.963 2.496 0.562 1.00 42.14 C ATOM 804 CD2 PHE A 54 -6.403 2.517 2.888 1.00 13.00 C ATOM 805 CE1 PHE A 54 -5.953 1.579 0.338 1.00 54.00 C ATOM 806 CE2 PHE A 54 -5.394 1.603 2.655 1.00 74.51 C ATOM 807 CZ PHE A 54 -5.170 1.133 1.381 1.00 61.22 C ATOM 0 H PHE A 54 -10.182 5.479 2.581 1.00 41.22 H new ATOM 0 HA PHE A 54 -10.094 2.886 1.553 1.00 4.20 H new ATOM 0 HB2 PHE A 54 -8.388 4.657 1.221 1.00 32.21 H new ATOM 0 HB3 PHE A 54 -8.002 4.646 2.930 1.00 32.21 H new ATOM 0 HD1 PHE A 54 -7.567 2.839 -0.265 1.00 42.14 H new ATOM 0 HD2 PHE A 54 -6.572 2.878 3.892 1.00 13.00 H new ATOM 0 HE1 PHE A 54 -5.776 1.209 -0.661 1.00 54.00 H new ATOM 0 HE2 PHE A 54 -4.780 1.257 3.473 1.00 74.51 H new ATOM 0 HZ PHE A 54 -4.383 0.417 1.199 1.00 61.22 H new ATOM 817 N ALA A 55 -9.482 2.998 4.801 1.00 23.20 N ATOM 818 CA ALA A 55 -9.452 2.190 6.027 1.00 33.32 C ATOM 819 C ALA A 55 -10.819 1.521 6.328 1.00 45.22 C ATOM 820 O ALA A 55 -10.872 0.404 6.838 1.00 71.23 O ATOM 821 CB ALA A 55 -8.986 3.053 7.204 1.00 15.44 C ATOM 0 H ALA A 55 -9.334 3.995 4.957 1.00 23.20 H new ATOM 0 HA ALA A 55 -8.741 1.378 5.875 1.00 33.32 H new ATOM 0 HB1 ALA A 55 -8.965 2.450 8.112 1.00 15.44 H new ATOM 0 HB2 ALA A 55 -7.986 3.437 7.000 1.00 15.44 H new ATOM 0 HB3 ALA A 55 -9.675 3.887 7.339 1.00 15.44 H new ATOM 827 N LYS A 56 -11.904 2.223 5.975 1.00 22.33 N ATOM 828 CA LYS A 56 -13.295 1.792 6.222 1.00 54.15 C ATOM 829 C LYS A 56 -13.693 0.576 5.351 1.00 71.34 C ATOM 830 O LYS A 56 -14.224 -0.409 5.879 1.00 24.45 O ATOM 831 CB LYS A 56 -14.237 3.034 6.017 1.00 43.05 C ATOM 832 CG LYS A 56 -15.757 2.765 5.810 1.00 42.02 C ATOM 833 CD LYS A 56 -16.158 2.680 4.311 1.00 33.50 C ATOM 834 CE LYS A 56 -17.650 2.388 4.096 1.00 54.32 C ATOM 835 NZ LYS A 56 -18.519 3.494 4.590 1.00 41.21 N ATOM 0 H LYS A 56 -11.843 3.124 5.501 1.00 22.33 H new ATOM 0 HA LYS A 56 -13.397 1.439 7.248 1.00 54.15 H new ATOM 0 HB2 LYS A 56 -14.127 3.685 6.884 1.00 43.05 H new ATOM 0 HB3 LYS A 56 -13.874 3.591 5.153 1.00 43.05 H new ATOM 0 HG2 LYS A 56 -16.027 1.833 6.306 1.00 42.02 H new ATOM 0 HG3 LYS A 56 -16.330 3.559 6.290 1.00 42.02 H new ATOM 0 HD2 LYS A 56 -15.905 3.620 3.821 1.00 33.50 H new ATOM 0 HD3 LYS A 56 -15.569 1.900 3.828 1.00 33.50 H new ATOM 0 HE2 LYS A 56 -17.837 2.228 3.034 1.00 54.32 H new ATOM 0 HE3 LYS A 56 -17.915 1.464 4.609 1.00 54.32 H new ATOM 0 HZ1 LYS A 56 -19.513 3.275 4.378 1.00 41.21 H new ATOM 0 HZ2 LYS A 56 -18.399 3.597 5.618 1.00 41.21 H new ATOM 0 HZ3 LYS A 56 -18.252 4.382 4.119 1.00 41.21 H new ATOM 849 N GLU A 57 -13.453 0.650 4.025 1.00 70.23 N ATOM 850 CA GLU A 57 -13.894 -0.410 3.071 1.00 22.12 C ATOM 851 C GLU A 57 -12.737 -1.293 2.573 1.00 62.11 C ATOM 852 O GLU A 57 -12.872 -2.521 2.546 1.00 61.44 O ATOM 853 CB GLU A 57 -14.647 0.204 1.853 1.00 74.21 C ATOM 854 CG GLU A 57 -13.863 1.309 1.099 1.00 20.02 C ATOM 855 CD GLU A 57 -14.281 1.473 -0.371 1.00 22.41 C ATOM 856 OE1 GLU A 57 -15.303 2.133 -0.643 1.00 54.23 O ATOM 857 OE2 GLU A 57 -13.588 0.932 -1.257 1.00 74.14 O ATOM 0 H GLU A 57 -12.959 1.426 3.584 1.00 70.23 H new ATOM 0 HA GLU A 57 -14.574 -1.049 3.633 1.00 22.12 H new ATOM 0 HB2 GLU A 57 -14.888 -0.595 1.152 1.00 74.21 H new ATOM 0 HB3 GLU A 57 -15.593 0.620 2.200 1.00 74.21 H new ATOM 0 HG2 GLU A 57 -14.004 2.258 1.615 1.00 20.02 H new ATOM 0 HG3 GLU A 57 -12.798 1.079 1.141 1.00 20.02 H new ATOM 864 N VAL A 58 -11.607 -0.672 2.221 1.00 25.22 N ATOM 865 CA VAL A 58 -10.532 -1.340 1.463 1.00 4.23 C ATOM 866 C VAL A 58 -9.711 -2.270 2.373 1.00 11.24 C ATOM 867 O VAL A 58 -9.414 -3.413 1.997 1.00 45.41 O ATOM 868 CB VAL A 58 -9.583 -0.289 0.790 1.00 74.13 C ATOM 869 CG1 VAL A 58 -8.398 -0.967 0.082 1.00 12.31 C ATOM 870 CG2 VAL A 58 -10.365 0.629 -0.180 1.00 44.51 C ATOM 0 H VAL A 58 -11.407 0.302 2.449 1.00 25.22 H new ATOM 0 HA VAL A 58 -11.005 -1.938 0.684 1.00 4.23 H new ATOM 0 HB VAL A 58 -9.173 0.336 1.583 1.00 74.13 H new ATOM 0 HG11 VAL A 58 -7.762 -0.207 -0.372 1.00 12.31 H new ATOM 0 HG12 VAL A 58 -7.819 -1.538 0.808 1.00 12.31 H new ATOM 0 HG13 VAL A 58 -8.772 -1.637 -0.692 1.00 12.31 H new ATOM 0 HG21 VAL A 58 -9.681 1.348 -0.632 1.00 44.51 H new ATOM 0 HG22 VAL A 58 -10.825 0.025 -0.962 1.00 44.51 H new ATOM 0 HG23 VAL A 58 -11.141 1.162 0.370 1.00 44.51 H new ATOM 880 N LEU A 59 -9.347 -1.762 3.570 1.00 33.05 N ATOM 881 CA LEU A 59 -8.541 -2.528 4.530 1.00 23.24 C ATOM 882 C LEU A 59 -9.265 -3.824 4.999 1.00 4.35 C ATOM 883 O LEU A 59 -8.662 -4.871 4.910 1.00 55.31 O ATOM 884 CB LEU A 59 -8.066 -1.662 5.738 1.00 32.14 C ATOM 885 CG LEU A 59 -6.953 -0.611 5.440 1.00 11.02 C ATOM 886 CD1 LEU A 59 -6.491 0.073 6.743 1.00 43.21 C ATOM 887 CD2 LEU A 59 -5.759 -1.243 4.694 1.00 35.43 C ATOM 0 H LEU A 59 -9.600 -0.827 3.889 1.00 33.05 H new ATOM 0 HA LEU A 59 -7.643 -2.837 3.996 1.00 23.24 H new ATOM 0 HB2 LEU A 59 -8.931 -1.138 6.144 1.00 32.14 H new ATOM 0 HB3 LEU A 59 -7.704 -2.332 6.518 1.00 32.14 H new ATOM 0 HG LEU A 59 -7.380 0.148 4.785 1.00 11.02 H new ATOM 0 HD11 LEU A 59 -5.714 0.803 6.515 1.00 43.21 H new ATOM 0 HD12 LEU A 59 -7.337 0.577 7.209 1.00 43.21 H new ATOM 0 HD13 LEU A 59 -6.094 -0.677 7.427 1.00 43.21 H new ATOM 0 HD21 LEU A 59 -5.004 -0.480 4.504 1.00 35.43 H new ATOM 0 HD22 LEU A 59 -5.328 -2.037 5.304 1.00 35.43 H new ATOM 0 HD23 LEU A 59 -6.101 -1.659 3.746 1.00 35.43 H new ATOM 899 N PRO A 60 -10.562 -3.813 5.481 1.00 31.03 N ATOM 900 CA PRO A 60 -11.276 -5.080 5.852 1.00 11.11 C ATOM 901 C PRO A 60 -11.650 -5.967 4.632 1.00 60.51 C ATOM 902 O PRO A 60 -12.113 -7.104 4.814 1.00 11.03 O ATOM 903 CB PRO A 60 -12.538 -4.564 6.588 1.00 54.43 C ATOM 904 CG PRO A 60 -12.781 -3.211 6.008 1.00 62.13 C ATOM 905 CD PRO A 60 -11.412 -2.623 5.757 1.00 31.21 C ATOM 0 HA PRO A 60 -10.649 -5.736 6.455 1.00 11.11 H new ATOM 0 HB2 PRO A 60 -13.390 -5.224 6.426 1.00 54.43 H new ATOM 0 HB3 PRO A 60 -12.376 -4.511 7.665 1.00 54.43 H new ATOM 0 HG2 PRO A 60 -13.354 -3.278 5.083 1.00 62.13 H new ATOM 0 HG3 PRO A 60 -13.355 -2.588 6.694 1.00 62.13 H new ATOM 0 HD2 PRO A 60 -11.421 -1.933 4.913 1.00 31.21 H new ATOM 0 HD3 PRO A 60 -11.051 -2.065 6.621 1.00 31.21 H new ATOM 913 N LYS A 61 -11.483 -5.428 3.413 1.00 33.02 N ATOM 914 CA LYS A 61 -11.722 -6.171 2.158 1.00 72.30 C ATOM 915 C LYS A 61 -10.530 -7.091 1.826 1.00 71.42 C ATOM 916 O LYS A 61 -10.705 -8.296 1.603 1.00 32.22 O ATOM 917 CB LYS A 61 -11.997 -5.170 1.003 1.00 22.42 C ATOM 918 CG LYS A 61 -12.402 -5.805 -0.346 1.00 54.11 C ATOM 919 CD LYS A 61 -12.793 -4.745 -1.406 1.00 2.02 C ATOM 920 CE LYS A 61 -13.241 -5.371 -2.742 1.00 32.43 C ATOM 921 NZ LYS A 61 -13.715 -4.337 -3.713 1.00 71.41 N ATOM 0 H LYS A 61 -11.179 -4.466 3.267 1.00 33.02 H new ATOM 0 HA LYS A 61 -12.598 -6.807 2.285 1.00 72.30 H new ATOM 0 HB2 LYS A 61 -12.789 -4.489 1.316 1.00 22.42 H new ATOM 0 HB3 LYS A 61 -11.102 -4.568 0.847 1.00 22.42 H new ATOM 0 HG2 LYS A 61 -11.574 -6.405 -0.725 1.00 54.11 H new ATOM 0 HG3 LYS A 61 -13.241 -6.483 -0.188 1.00 54.11 H new ATOM 0 HD2 LYS A 61 -13.599 -4.125 -1.013 1.00 2.02 H new ATOM 0 HD3 LYS A 61 -11.943 -4.087 -1.586 1.00 2.02 H new ATOM 0 HE2 LYS A 61 -12.411 -5.926 -3.179 1.00 32.43 H new ATOM 0 HE3 LYS A 61 -14.041 -6.088 -2.556 1.00 32.43 H new ATOM 0 HZ1 LYS A 61 -14.193 -4.803 -4.511 1.00 71.41 H new ATOM 0 HZ2 LYS A 61 -14.381 -3.694 -3.238 1.00 71.41 H new ATOM 0 HZ3 LYS A 61 -12.902 -3.794 -4.066 1.00 71.41 H new ATOM 935 N TYR A 62 -9.318 -6.513 1.786 1.00 2.53 N ATOM 936 CA TYR A 62 -8.077 -7.255 1.447 1.00 65.44 C ATOM 937 C TYR A 62 -7.398 -7.806 2.709 1.00 0.21 C ATOM 938 O TYR A 62 -6.991 -8.970 2.759 1.00 32.51 O ATOM 939 CB TYR A 62 -7.103 -6.348 0.640 1.00 41.51 C ATOM 940 CG TYR A 62 -7.485 -6.209 -0.841 1.00 25.44 C ATOM 941 CD1 TYR A 62 -8.685 -5.606 -1.230 1.00 14.42 C ATOM 942 CD2 TYR A 62 -6.652 -6.704 -1.850 1.00 73.44 C ATOM 943 CE1 TYR A 62 -9.033 -5.498 -2.564 1.00 11.12 C ATOM 944 CE2 TYR A 62 -6.999 -6.597 -3.181 1.00 64.54 C ATOM 945 CZ TYR A 62 -8.187 -5.992 -3.532 1.00 40.45 C ATOM 946 OH TYR A 62 -8.531 -5.885 -4.857 1.00 24.30 O ATOM 0 H TYR A 62 -9.164 -5.525 1.985 1.00 2.53 H new ATOM 0 HA TYR A 62 -8.350 -8.105 0.822 1.00 65.44 H new ATOM 0 HB2 TYR A 62 -7.078 -5.358 1.096 1.00 41.51 H new ATOM 0 HB3 TYR A 62 -6.095 -6.757 0.711 1.00 41.51 H new ATOM 0 HD1 TYR A 62 -9.352 -5.217 -0.475 1.00 14.42 H new ATOM 0 HD2 TYR A 62 -5.720 -7.179 -1.582 1.00 73.44 H new ATOM 0 HE1 TYR A 62 -9.964 -5.028 -2.845 1.00 11.12 H new ATOM 0 HE2 TYR A 62 -6.342 -6.986 -3.945 1.00 64.54 H new ATOM 0 HH TYR A 62 -7.826 -6.281 -5.411 1.00 24.30 H new ATOM 956 N PHE A 63 -7.276 -6.953 3.715 1.00 41.14 N ATOM 957 CA PHE A 63 -6.669 -7.299 5.017 1.00 3.14 C ATOM 958 C PHE A 63 -7.807 -7.598 6.017 1.00 4.32 C ATOM 959 O PHE A 63 -8.978 -7.564 5.630 1.00 21.11 O ATOM 960 CB PHE A 63 -5.758 -6.125 5.475 1.00 54.32 C ATOM 961 CG PHE A 63 -4.812 -5.647 4.371 1.00 60.03 C ATOM 962 CD1 PHE A 63 -3.650 -6.348 4.069 1.00 11.55 C ATOM 963 CD2 PHE A 63 -5.116 -4.521 3.604 1.00 31.14 C ATOM 964 CE1 PHE A 63 -2.819 -5.930 3.045 1.00 32.43 C ATOM 965 CE2 PHE A 63 -4.285 -4.110 2.576 1.00 35.51 C ATOM 966 CZ PHE A 63 -3.137 -4.815 2.299 1.00 65.13 C ATOM 0 H PHE A 63 -7.596 -5.986 3.662 1.00 41.14 H new ATOM 0 HA PHE A 63 -6.041 -8.188 4.949 1.00 3.14 H new ATOM 0 HB2 PHE A 63 -6.381 -5.292 5.800 1.00 54.32 H new ATOM 0 HB3 PHE A 63 -5.172 -6.440 6.339 1.00 54.32 H new ATOM 0 HD1 PHE A 63 -3.393 -7.228 4.640 1.00 11.55 H new ATOM 0 HD2 PHE A 63 -6.015 -3.961 3.816 1.00 31.14 H new ATOM 0 HE1 PHE A 63 -1.915 -6.481 2.829 1.00 32.43 H new ATOM 0 HE2 PHE A 63 -4.538 -3.237 1.992 1.00 35.51 H new ATOM 0 HZ PHE A 63 -2.486 -4.496 1.499 1.00 65.13 H new ATOM 976 N LYS A 64 -7.498 -7.885 7.291 1.00 33.24 N ATOM 977 CA LYS A 64 -8.526 -8.332 8.268 1.00 51.42 C ATOM 978 C LYS A 64 -8.750 -7.286 9.380 1.00 44.11 C ATOM 979 O LYS A 64 -9.034 -7.645 10.527 1.00 71.10 O ATOM 980 CB LYS A 64 -8.107 -9.713 8.864 1.00 14.02 C ATOM 981 CG LYS A 64 -8.028 -10.858 7.827 1.00 20.21 C ATOM 982 CD LYS A 64 -7.681 -12.232 8.450 1.00 72.41 C ATOM 983 CE LYS A 64 -8.701 -12.695 9.509 1.00 43.30 C ATOM 984 NZ LYS A 64 -10.099 -12.717 8.991 1.00 64.21 N ATOM 0 H LYS A 64 -6.555 -7.819 7.675 1.00 33.24 H new ATOM 0 HA LYS A 64 -9.478 -8.442 7.748 1.00 51.42 H new ATOM 0 HB2 LYS A 64 -7.135 -9.607 9.346 1.00 14.02 H new ATOM 0 HB3 LYS A 64 -8.819 -9.991 9.641 1.00 14.02 H new ATOM 0 HG2 LYS A 64 -8.983 -10.934 7.308 1.00 20.21 H new ATOM 0 HG3 LYS A 64 -7.277 -10.608 7.078 1.00 20.21 H new ATOM 0 HD2 LYS A 64 -7.625 -12.979 7.658 1.00 72.41 H new ATOM 0 HD3 LYS A 64 -6.693 -12.177 8.907 1.00 72.41 H new ATOM 0 HE2 LYS A 64 -8.431 -13.692 9.856 1.00 43.30 H new ATOM 0 HE3 LYS A 64 -8.648 -12.032 10.373 1.00 43.30 H new ATOM 0 HZ1 LYS A 64 -10.736 -13.083 9.727 1.00 64.21 H new ATOM 0 HZ2 LYS A 64 -10.388 -11.752 8.732 1.00 64.21 H new ATOM 0 HZ3 LYS A 64 -10.149 -13.331 8.153 1.00 64.21 H new ATOM 998 N HIS A 65 -8.707 -5.990 9.021 1.00 23.25 N ATOM 999 CA HIS A 65 -8.786 -4.878 10.002 1.00 51.11 C ATOM 1000 C HIS A 65 -9.278 -3.595 9.314 1.00 20.13 C ATOM 1001 O HIS A 65 -9.137 -3.466 8.107 1.00 1.12 O ATOM 1002 CB HIS A 65 -7.398 -4.640 10.667 1.00 74.22 C ATOM 1003 CG HIS A 65 -6.287 -4.294 9.698 1.00 32.05 C ATOM 1004 ND1 HIS A 65 -5.921 -2.997 9.387 1.00 53.51 N ATOM 1005 CD2 HIS A 65 -5.457 -5.089 8.978 1.00 71.40 C ATOM 1006 CE1 HIS A 65 -4.920 -3.018 8.529 1.00 53.41 C ATOM 1007 NE2 HIS A 65 -4.620 -4.271 8.263 1.00 43.40 N ATOM 0 H HIS A 65 -8.617 -5.680 8.053 1.00 23.25 H new ATOM 0 HA HIS A 65 -9.499 -5.151 10.780 1.00 51.11 H new ATOM 0 HB2 HIS A 65 -7.492 -3.834 11.395 1.00 74.22 H new ATOM 0 HB3 HIS A 65 -7.115 -5.537 11.219 1.00 74.22 H new ATOM 0 HD1 HIS A 65 -6.357 -2.155 9.763 1.00 53.51 H new ATOM 0 HD2 HIS A 65 -5.455 -6.169 8.969 1.00 71.40 H new ATOM 0 HE1 HIS A 65 -4.428 -2.151 8.114 1.00 53.41 H new ATOM 1016 N ASN A 66 -9.828 -2.639 10.097 1.00 13.52 N ATOM 1017 CA ASN A 66 -10.290 -1.326 9.556 1.00 63.31 C ATOM 1018 C ASN A 66 -9.308 -0.207 9.936 1.00 32.03 C ATOM 1019 O ASN A 66 -9.370 0.877 9.379 1.00 62.34 O ATOM 1020 CB ASN A 66 -11.708 -0.921 10.055 1.00 63.04 C ATOM 1021 CG ASN A 66 -12.794 -1.959 9.791 1.00 54.53 C ATOM 1022 OD1 ASN A 66 -13.573 -1.767 8.734 1.00 5.12 O flip ATOM 1023 ND2 ASN A 66 -12.956 -2.909 10.557 1.00 51.44 N flip ATOM 0 H ASN A 66 -9.965 -2.745 11.102 1.00 13.52 H new ATOM 0 HA ASN A 66 -10.334 -1.453 8.474 1.00 63.31 H new ATOM 0 HB2 ASN A 66 -11.660 -0.729 11.127 1.00 63.04 H new ATOM 0 HB3 ASN A 66 -11.994 0.015 9.575 1.00 63.04 H new ATOM 0 HD21 ASN A 66 -12.339 -3.027 11.361 1.00 51.44 H new ATOM 0 HD22 ASN A 66 -13.707 -3.578 10.388 1.00 51.44 H new ATOM 1030 N ASN A 67 -8.430 -0.466 10.920 1.00 13.52 N ATOM 1031 CA ASN A 67 -7.498 0.552 11.452 1.00 2.31 C ATOM 1032 C ASN A 67 -6.323 0.794 10.473 1.00 20.12 C ATOM 1033 O ASN A 67 -5.611 -0.150 10.103 1.00 34.30 O ATOM 1034 CB ASN A 67 -6.993 0.119 12.853 1.00 40.10 C ATOM 1035 CG ASN A 67 -5.991 1.103 13.465 1.00 14.55 C ATOM 1036 OD1 ASN A 67 -4.784 0.946 13.311 1.00 23.33 O ATOM 1037 ND2 ASN A 67 -6.482 2.129 14.147 1.00 5.41 N ATOM 0 H ASN A 67 -8.344 -1.378 11.368 1.00 13.52 H new ATOM 0 HA ASN A 67 -8.028 1.499 11.555 1.00 2.31 H new ATOM 0 HB2 ASN A 67 -7.846 0.015 13.523 1.00 40.10 H new ATOM 0 HB3 ASN A 67 -6.527 -0.863 12.776 1.00 40.10 H new ATOM 0 HD21 ASN A 67 -5.851 2.815 14.561 1.00 5.41 H new ATOM 0 HD22 ASN A 67 -7.491 2.232 14.258 1.00 5.41 H new ATOM 1044 N MET A 68 -6.133 2.074 10.079 1.00 73.24 N ATOM 1045 CA MET A 68 -5.104 2.491 9.095 1.00 53.31 C ATOM 1046 C MET A 68 -3.688 2.483 9.709 1.00 74.25 C ATOM 1047 O MET A 68 -2.714 2.172 9.021 1.00 75.11 O ATOM 1048 CB MET A 68 -5.443 3.897 8.519 1.00 4.44 C ATOM 1049 CG MET A 68 -4.531 4.372 7.392 1.00 55.03 C ATOM 1050 SD MET A 68 -4.559 3.244 5.987 1.00 13.41 S ATOM 1051 CE MET A 68 -3.586 4.166 4.811 1.00 43.45 C ATOM 0 H MET A 68 -6.690 2.850 10.435 1.00 73.24 H new ATOM 0 HA MET A 68 -5.111 1.765 8.282 1.00 53.31 H new ATOM 0 HB2 MET A 68 -6.470 3.885 8.154 1.00 4.44 H new ATOM 0 HB3 MET A 68 -5.402 4.624 9.330 1.00 4.44 H new ATOM 0 HG2 MET A 68 -4.842 5.365 7.067 1.00 55.03 H new ATOM 0 HG3 MET A 68 -3.511 4.463 7.764 1.00 55.03 H new ATOM 0 HE1 MET A 68 -3.298 3.514 3.987 1.00 43.45 H new ATOM 0 HE2 MET A 68 -4.174 4.999 4.426 1.00 43.45 H new ATOM 0 HE3 MET A 68 -2.691 4.549 5.301 1.00 43.45 H new ATOM 1061 N ALA A 69 -3.594 2.817 11.012 1.00 55.23 N ATOM 1062 CA ALA A 69 -2.310 2.848 11.753 1.00 60.15 C ATOM 1063 C ALA A 69 -1.610 1.469 11.741 1.00 3.51 C ATOM 1064 O ALA A 69 -0.380 1.391 11.716 1.00 15.33 O ATOM 1065 CB ALA A 69 -2.536 3.323 13.197 1.00 31.20 C ATOM 0 H ALA A 69 -4.401 3.072 11.581 1.00 55.23 H new ATOM 0 HA ALA A 69 -1.653 3.555 11.247 1.00 60.15 H new ATOM 0 HB1 ALA A 69 -1.584 3.340 13.728 1.00 31.20 H new ATOM 0 HB2 ALA A 69 -2.964 4.325 13.188 1.00 31.20 H new ATOM 0 HB3 ALA A 69 -3.220 2.641 13.702 1.00 31.20 H new ATOM 1071 N SER A 70 -2.432 0.399 11.753 1.00 44.44 N ATOM 1072 CA SER A 70 -1.982 -0.997 11.650 1.00 63.40 C ATOM 1073 C SER A 70 -1.328 -1.274 10.278 1.00 73.21 C ATOM 1074 O SER A 70 -0.255 -1.879 10.211 1.00 63.14 O ATOM 1075 CB SER A 70 -3.194 -1.932 11.875 1.00 73.45 C ATOM 1076 OG SER A 70 -2.838 -3.300 11.777 1.00 2.43 O ATOM 0 H SER A 70 -3.445 0.487 11.836 1.00 44.44 H new ATOM 0 HA SER A 70 -1.227 -1.185 12.413 1.00 63.40 H new ATOM 0 HB2 SER A 70 -3.622 -1.739 12.859 1.00 73.45 H new ATOM 0 HB3 SER A 70 -3.967 -1.706 11.141 1.00 73.45 H new ATOM 0 HG SER A 70 -3.631 -3.856 11.927 1.00 2.43 H new ATOM 1082 N PHE A 71 -1.986 -0.785 9.204 1.00 44.00 N ATOM 1083 CA PHE A 71 -1.527 -0.942 7.803 1.00 23.05 C ATOM 1084 C PHE A 71 -0.144 -0.286 7.605 1.00 64.15 C ATOM 1085 O PHE A 71 0.801 -0.924 7.118 1.00 73.51 O ATOM 1086 CB PHE A 71 -2.594 -0.307 6.852 1.00 44.35 C ATOM 1087 CG PHE A 71 -2.193 -0.186 5.376 1.00 55.32 C ATOM 1088 CD1 PHE A 71 -2.214 -1.293 4.533 1.00 25.13 C ATOM 1089 CD2 PHE A 71 -1.803 1.043 4.835 1.00 44.33 C ATOM 1090 CE1 PHE A 71 -1.853 -1.180 3.203 1.00 62.42 C ATOM 1091 CE2 PHE A 71 -1.444 1.156 3.503 1.00 42.11 C ATOM 1092 CZ PHE A 71 -1.468 0.043 2.690 1.00 3.10 C ATOM 0 H PHE A 71 -2.860 -0.265 9.284 1.00 44.00 H new ATOM 0 HA PHE A 71 -1.419 -2.001 7.567 1.00 23.05 H new ATOM 0 HB2 PHE A 71 -3.505 -0.902 6.913 1.00 44.35 H new ATOM 0 HB3 PHE A 71 -2.837 0.688 7.225 1.00 44.35 H new ATOM 0 HD1 PHE A 71 -2.516 -2.254 4.923 1.00 25.13 H new ATOM 0 HD2 PHE A 71 -1.782 1.919 5.467 1.00 44.33 H new ATOM 0 HE1 PHE A 71 -1.872 -2.050 2.564 1.00 62.42 H new ATOM 0 HE2 PHE A 71 -1.146 2.113 3.102 1.00 42.11 H new ATOM 0 HZ PHE A 71 -1.185 0.128 1.651 1.00 3.10 H new ATOM 1102 N VAL A 72 -0.054 0.986 8.025 1.00 13.03 N ATOM 1103 CA VAL A 72 1.175 1.794 7.953 1.00 13.31 C ATOM 1104 C VAL A 72 2.316 1.163 8.795 1.00 3.15 C ATOM 1105 O VAL A 72 3.463 1.125 8.347 1.00 34.41 O ATOM 1106 CB VAL A 72 0.880 3.271 8.423 1.00 4.24 C ATOM 1107 CG1 VAL A 72 2.141 4.169 8.375 1.00 40.34 C ATOM 1108 CG2 VAL A 72 -0.277 3.885 7.592 1.00 33.43 C ATOM 0 H VAL A 72 -0.843 1.489 8.430 1.00 13.03 H new ATOM 0 HA VAL A 72 1.509 1.816 6.916 1.00 13.31 H new ATOM 0 HB VAL A 72 0.572 3.223 9.467 1.00 4.24 H new ATOM 0 HG11 VAL A 72 1.884 5.175 8.708 1.00 40.34 H new ATOM 0 HG12 VAL A 72 2.908 3.755 9.030 1.00 40.34 H new ATOM 0 HG13 VAL A 72 2.519 4.210 7.354 1.00 40.34 H new ATOM 0 HG21 VAL A 72 -0.467 4.904 7.930 1.00 33.43 H new ATOM 0 HG22 VAL A 72 -0.001 3.898 6.538 1.00 33.43 H new ATOM 0 HG23 VAL A 72 -1.178 3.285 7.724 1.00 33.43 H new ATOM 1118 N ARG A 73 1.967 0.625 9.984 1.00 71.44 N ATOM 1119 CA ARG A 73 2.936 0.007 10.928 1.00 15.35 C ATOM 1120 C ARG A 73 3.664 -1.194 10.305 1.00 34.33 C ATOM 1121 O ARG A 73 4.884 -1.354 10.487 1.00 41.33 O ATOM 1122 CB ARG A 73 2.204 -0.445 12.205 1.00 12.01 C ATOM 1123 CG ARG A 73 3.096 -1.046 13.316 1.00 13.10 C ATOM 1124 CD ARG A 73 2.268 -1.403 14.562 1.00 33.51 C ATOM 1125 NE ARG A 73 1.405 -0.270 14.983 1.00 63.10 N ATOM 1126 CZ ARG A 73 0.061 -0.308 15.090 1.00 2.41 C ATOM 1127 NH1 ARG A 73 -0.606 -1.434 14.848 1.00 44.13 N ATOM 1128 NH2 ARG A 73 -0.598 0.799 15.403 1.00 65.10 N ATOM 0 H ARG A 73 1.004 0.605 10.321 1.00 71.44 H new ATOM 0 HA ARG A 73 3.684 0.762 11.169 1.00 15.35 H new ATOM 0 HB2 ARG A 73 1.670 0.411 12.617 1.00 12.01 H new ATOM 0 HB3 ARG A 73 1.453 -1.185 11.928 1.00 12.01 H new ATOM 0 HG2 ARG A 73 3.597 -1.939 12.941 1.00 13.10 H new ATOM 0 HG3 ARG A 73 3.875 -0.333 13.586 1.00 13.10 H new ATOM 0 HD2 ARG A 73 1.649 -2.275 14.351 1.00 33.51 H new ATOM 0 HD3 ARG A 73 2.936 -1.676 15.379 1.00 33.51 H new ATOM 0 HE ARG A 73 1.867 0.610 15.210 1.00 63.10 H new ATOM 0 HH11 ARG A 73 -0.101 -2.278 14.579 1.00 44.13 H new ATOM 0 HH12 ARG A 73 -1.622 -1.453 14.932 1.00 44.13 H new ATOM 0 HH21 ARG A 73 -0.089 1.669 15.560 1.00 65.10 H new ATOM 0 HH22 ARG A 73 -1.614 0.781 15.486 1.00 65.10 H new ATOM 1142 N GLN A 74 2.897 -2.022 9.562 1.00 53.03 N ATOM 1143 CA GLN A 74 3.442 -3.177 8.833 1.00 3.10 C ATOM 1144 C GLN A 74 4.506 -2.700 7.832 1.00 1.33 C ATOM 1145 O GLN A 74 5.618 -3.228 7.802 1.00 32.11 O ATOM 1146 CB GLN A 74 2.324 -3.943 8.077 1.00 4.40 C ATOM 1147 CG GLN A 74 1.162 -4.460 8.947 1.00 54.20 C ATOM 1148 CD GLN A 74 1.581 -5.456 10.029 1.00 42.43 C ATOM 1149 OE1 GLN A 74 1.879 -5.077 11.164 1.00 32.13 O ATOM 1150 NE2 GLN A 74 1.609 -6.735 9.685 1.00 32.12 N ATOM 0 H GLN A 74 1.889 -1.905 9.454 1.00 53.03 H new ATOM 0 HA GLN A 74 3.891 -3.856 9.558 1.00 3.10 H new ATOM 0 HB2 GLN A 74 1.915 -3.286 7.309 1.00 4.40 H new ATOM 0 HB3 GLN A 74 2.774 -4.792 7.563 1.00 4.40 H new ATOM 0 HG2 GLN A 74 0.673 -3.610 9.422 1.00 54.20 H new ATOM 0 HG3 GLN A 74 0.422 -4.933 8.301 1.00 54.20 H new ATOM 0 HE21 GLN A 74 1.356 -7.014 8.737 1.00 32.12 H new ATOM 0 HE22 GLN A 74 1.883 -7.441 10.368 1.00 32.12 H new ATOM 1159 N LEU A 75 4.149 -1.645 7.072 1.00 72.50 N ATOM 1160 CA LEU A 75 5.002 -1.046 6.031 1.00 41.21 C ATOM 1161 C LEU A 75 6.315 -0.483 6.608 1.00 2.52 C ATOM 1162 O LEU A 75 7.364 -0.632 5.990 1.00 63.34 O ATOM 1163 CB LEU A 75 4.202 0.048 5.277 1.00 32.13 C ATOM 1164 CG LEU A 75 2.991 -0.488 4.454 1.00 41.14 C ATOM 1165 CD1 LEU A 75 2.068 0.649 3.996 1.00 61.41 C ATOM 1166 CD2 LEU A 75 3.470 -1.327 3.251 1.00 71.02 C ATOM 0 H LEU A 75 3.246 -1.180 7.167 1.00 72.50 H new ATOM 0 HA LEU A 75 5.288 -1.829 5.329 1.00 41.21 H new ATOM 0 HB2 LEU A 75 3.839 0.778 6.000 1.00 32.13 H new ATOM 0 HB3 LEU A 75 4.878 0.575 4.604 1.00 32.13 H new ATOM 0 HG LEU A 75 2.410 -1.135 5.112 1.00 41.14 H new ATOM 0 HD11 LEU A 75 1.236 0.235 3.426 1.00 61.41 H new ATOM 0 HD12 LEU A 75 1.683 1.178 4.867 1.00 61.41 H new ATOM 0 HD13 LEU A 75 2.628 1.342 3.369 1.00 61.41 H new ATOM 0 HD21 LEU A 75 2.606 -1.689 2.693 1.00 71.02 H new ATOM 0 HD22 LEU A 75 4.089 -0.710 2.600 1.00 71.02 H new ATOM 0 HD23 LEU A 75 4.053 -2.176 3.608 1.00 71.02 H new ATOM 1178 N ASN A 76 6.251 0.131 7.809 1.00 11.21 N ATOM 1179 CA ASN A 76 7.465 0.591 8.540 1.00 60.12 C ATOM 1180 C ASN A 76 8.420 -0.585 8.871 1.00 24.15 C ATOM 1181 O ASN A 76 9.647 -0.423 8.825 1.00 13.22 O ATOM 1182 CB ASN A 76 7.100 1.363 9.844 1.00 52.03 C ATOM 1183 CG ASN A 76 6.512 2.755 9.576 1.00 31.03 C ATOM 1184 OD1 ASN A 76 7.249 3.726 9.409 1.00 44.20 O ATOM 1185 ND2 ASN A 76 5.196 2.881 9.587 1.00 54.40 N ATOM 0 H ASN A 76 5.376 0.322 8.297 1.00 11.21 H new ATOM 0 HA ASN A 76 7.984 1.276 7.870 1.00 60.12 H new ATOM 0 HB2 ASN A 76 6.382 0.776 10.417 1.00 52.03 H new ATOM 0 HB3 ASN A 76 7.993 1.465 10.461 1.00 52.03 H new ATOM 0 HD21 ASN A 76 4.770 3.799 9.455 1.00 54.40 H new ATOM 0 HD22 ASN A 76 4.606 2.061 9.727 1.00 54.40 H new ATOM 1192 N MET A 77 7.844 -1.765 9.178 1.00 31.55 N ATOM 1193 CA MET A 77 8.623 -3.011 9.415 1.00 61.03 C ATOM 1194 C MET A 77 9.115 -3.626 8.087 1.00 64.33 C ATOM 1195 O MET A 77 10.094 -4.374 8.071 1.00 55.35 O ATOM 1196 CB MET A 77 7.786 -4.051 10.205 1.00 31.14 C ATOM 1197 CG MET A 77 7.378 -3.598 11.611 1.00 73.00 C ATOM 1198 SD MET A 77 6.592 -4.916 12.565 1.00 52.34 S ATOM 1199 CE MET A 77 5.203 -5.368 11.517 1.00 22.41 C ATOM 0 H MET A 77 6.836 -1.888 9.269 1.00 31.55 H new ATOM 0 HA MET A 77 9.494 -2.740 10.012 1.00 61.03 H new ATOM 0 HB2 MET A 77 6.886 -4.283 9.636 1.00 31.14 H new ATOM 0 HB3 MET A 77 8.359 -4.975 10.286 1.00 31.14 H new ATOM 0 HG2 MET A 77 8.260 -3.244 12.145 1.00 73.00 H new ATOM 0 HG3 MET A 77 6.693 -2.754 11.532 1.00 73.00 H new ATOM 0 HE1 MET A 77 4.668 -6.206 11.964 1.00 22.41 H new ATOM 0 HE2 MET A 77 4.529 -4.517 11.419 1.00 22.41 H new ATOM 0 HE3 MET A 77 5.569 -5.656 10.531 1.00 22.41 H new ATOM 1209 N TYR A 78 8.417 -3.302 6.983 1.00 61.13 N ATOM 1210 CA TYR A 78 8.812 -3.717 5.618 1.00 32.24 C ATOM 1211 C TYR A 78 9.821 -2.729 4.993 1.00 21.21 C ATOM 1212 O TYR A 78 10.353 -2.987 3.906 1.00 13.24 O ATOM 1213 CB TYR A 78 7.562 -3.856 4.707 1.00 62.12 C ATOM 1214 CG TYR A 78 6.668 -5.058 5.025 1.00 64.21 C ATOM 1215 CD1 TYR A 78 7.177 -6.353 4.985 1.00 52.32 C ATOM 1216 CD2 TYR A 78 5.320 -4.903 5.340 1.00 45.43 C ATOM 1217 CE1 TYR A 78 6.373 -7.440 5.254 1.00 3.51 C ATOM 1218 CE2 TYR A 78 4.519 -5.989 5.616 1.00 3.54 C ATOM 1219 CZ TYR A 78 5.047 -7.251 5.570 1.00 32.44 C ATOM 1220 OH TYR A 78 4.245 -8.334 5.847 1.00 61.24 O ATOM 0 H TYR A 78 7.563 -2.745 7.009 1.00 61.13 H new ATOM 0 HA TYR A 78 9.301 -4.688 5.699 1.00 32.24 H new ATOM 0 HB2 TYR A 78 6.967 -2.946 4.789 1.00 62.12 H new ATOM 0 HB3 TYR A 78 7.891 -3.930 3.671 1.00 62.12 H new ATOM 0 HD1 TYR A 78 8.217 -6.508 4.740 1.00 52.32 H new ATOM 0 HD2 TYR A 78 4.894 -3.911 5.368 1.00 45.43 H new ATOM 0 HE1 TYR A 78 6.783 -8.438 5.217 1.00 3.51 H new ATOM 0 HE2 TYR A 78 3.479 -5.845 5.868 1.00 3.54 H new ATOM 0 HH TYR A 78 3.420 -8.028 6.278 1.00 61.24 H new ATOM 1230 N GLY A 79 10.072 -1.602 5.684 1.00 62.45 N ATOM 1231 CA GLY A 79 11.083 -0.626 5.264 1.00 51.23 C ATOM 1232 C GLY A 79 10.560 0.451 4.314 1.00 31.41 C ATOM 1233 O GLY A 79 11.357 1.205 3.751 1.00 54.11 O ATOM 0 H GLY A 79 9.582 -1.347 6.542 1.00 62.45 H new ATOM 0 HA2 GLY A 79 11.496 -0.143 6.150 1.00 51.23 H new ATOM 0 HA3 GLY A 79 11.903 -1.155 4.779 1.00 51.23 H new ATOM 1237 N PHE A 80 9.224 0.531 4.129 1.00 3.23 N ATOM 1238 CA PHE A 80 8.587 1.556 3.266 1.00 64.30 C ATOM 1239 C PHE A 80 8.643 2.921 3.965 1.00 70.03 C ATOM 1240 O PHE A 80 8.517 2.993 5.197 1.00 61.13 O ATOM 1241 CB PHE A 80 7.100 1.197 2.962 1.00 31.13 C ATOM 1242 CG PHE A 80 6.884 0.041 1.981 1.00 21.12 C ATOM 1243 CD1 PHE A 80 7.213 -1.267 2.322 1.00 3.13 C ATOM 1244 CD2 PHE A 80 6.324 0.266 0.719 1.00 42.40 C ATOM 1245 CE1 PHE A 80 6.990 -2.312 1.439 1.00 43.52 C ATOM 1246 CE2 PHE A 80 6.106 -0.780 -0.162 1.00 24.33 C ATOM 1247 CZ PHE A 80 6.437 -2.068 0.200 1.00 71.33 C ATOM 0 H PHE A 80 8.560 -0.106 4.569 1.00 3.23 H new ATOM 0 HA PHE A 80 9.133 1.591 2.323 1.00 64.30 H new ATOM 0 HB2 PHE A 80 6.606 0.949 3.901 1.00 31.13 H new ATOM 0 HB3 PHE A 80 6.605 2.083 2.565 1.00 31.13 H new ATOM 0 HD1 PHE A 80 7.649 -1.471 3.289 1.00 3.13 H new ATOM 0 HD2 PHE A 80 6.058 1.271 0.427 1.00 42.40 H new ATOM 0 HE1 PHE A 80 7.250 -3.321 1.723 1.00 43.52 H new ATOM 0 HE2 PHE A 80 5.676 -0.586 -1.134 1.00 24.33 H new ATOM 0 HZ PHE A 80 6.264 -2.884 -0.485 1.00 71.33 H new ATOM 1257 N ARG A 81 8.824 3.997 3.185 1.00 32.01 N ATOM 1258 CA ARG A 81 8.872 5.366 3.728 1.00 24.13 C ATOM 1259 C ARG A 81 7.624 6.141 3.287 1.00 54.53 C ATOM 1260 O ARG A 81 7.279 6.130 2.102 1.00 15.43 O ATOM 1261 CB ARG A 81 10.147 6.119 3.253 1.00 12.01 C ATOM 1262 CG ARG A 81 10.351 7.492 3.944 1.00 21.32 C ATOM 1263 CD ARG A 81 11.448 8.346 3.288 1.00 35.40 C ATOM 1264 NE ARG A 81 11.768 9.565 4.068 1.00 0.34 N ATOM 1265 CZ ARG A 81 10.993 10.658 4.185 1.00 21.14 C ATOM 1266 NH1 ARG A 81 9.808 10.737 3.590 1.00 54.04 N ATOM 1267 NH2 ARG A 81 11.432 11.691 4.891 1.00 31.32 N ATOM 0 H ARG A 81 8.940 3.947 2.173 1.00 32.01 H new ATOM 0 HA ARG A 81 8.902 5.298 4.815 1.00 24.13 H new ATOM 0 HB2 ARG A 81 11.020 5.494 3.442 1.00 12.01 H new ATOM 0 HB3 ARG A 81 10.090 6.269 2.175 1.00 12.01 H new ATOM 0 HG2 ARG A 81 9.411 8.044 3.925 1.00 21.32 H new ATOM 0 HG3 ARG A 81 10.604 7.330 4.992 1.00 21.32 H new ATOM 0 HD2 ARG A 81 12.350 7.745 3.174 1.00 35.40 H new ATOM 0 HD3 ARG A 81 11.128 8.634 2.287 1.00 35.40 H new ATOM 0 HE ARG A 81 12.660 9.576 4.563 1.00 0.34 H new ATOM 0 HH11 ARG A 81 9.466 9.957 3.028 1.00 54.04 H new ATOM 0 HH12 ARG A 81 9.240 11.578 3.695 1.00 54.04 H new ATOM 0 HH21 ARG A 81 12.348 11.651 5.338 1.00 31.32 H new ATOM 0 HH22 ARG A 81 10.854 12.526 4.987 1.00 31.32 H new ATOM 1281 N LYS A 82 6.970 6.809 4.250 1.00 30.01 N ATOM 1282 CA LYS A 82 5.834 7.706 3.994 1.00 43.34 C ATOM 1283 C LYS A 82 6.344 9.032 3.373 1.00 45.01 C ATOM 1284 O LYS A 82 7.267 9.663 3.889 1.00 2.42 O ATOM 1285 CB LYS A 82 5.052 7.945 5.328 1.00 23.35 C ATOM 1286 CG LYS A 82 4.016 9.096 5.315 1.00 34.14 C ATOM 1287 CD LYS A 82 2.983 8.999 4.168 1.00 4.02 C ATOM 1288 CE LYS A 82 2.062 10.224 4.116 1.00 33.02 C ATOM 1289 NZ LYS A 82 1.212 10.339 5.325 1.00 1.33 N ATOM 0 H LYS A 82 7.218 6.741 5.237 1.00 30.01 H new ATOM 0 HA LYS A 82 5.147 7.252 3.280 1.00 43.34 H new ATOM 0 HB2 LYS A 82 4.536 7.022 5.593 1.00 23.35 H new ATOM 0 HB3 LYS A 82 5.776 8.144 6.119 1.00 23.35 H new ATOM 0 HG2 LYS A 82 3.486 9.105 6.268 1.00 34.14 H new ATOM 0 HG3 LYS A 82 4.544 10.046 5.235 1.00 34.14 H new ATOM 0 HD2 LYS A 82 3.506 8.899 3.217 1.00 4.02 H new ATOM 0 HD3 LYS A 82 2.382 8.099 4.297 1.00 4.02 H new ATOM 0 HE2 LYS A 82 2.666 11.126 4.012 1.00 33.02 H new ATOM 0 HE3 LYS A 82 1.427 10.161 3.232 1.00 33.02 H new ATOM 0 HZ1 LYS A 82 0.514 11.098 5.188 1.00 1.33 H new ATOM 0 HZ2 LYS A 82 0.717 9.439 5.488 1.00 1.33 H new ATOM 0 HZ3 LYS A 82 1.808 10.561 6.148 1.00 1.33 H new ATOM 1303 N VAL A 83 5.748 9.403 2.234 1.00 35.51 N ATOM 1304 CA VAL A 83 6.017 10.647 1.507 1.00 31.34 C ATOM 1305 C VAL A 83 4.655 11.274 1.168 1.00 11.14 C ATOM 1306 O VAL A 83 3.853 10.654 0.464 1.00 42.35 O ATOM 1307 CB VAL A 83 6.840 10.386 0.181 1.00 63.52 C ATOM 1308 CG1 VAL A 83 7.091 11.698 -0.598 1.00 41.20 C ATOM 1309 CG2 VAL A 83 8.168 9.643 0.475 1.00 42.41 C ATOM 0 H VAL A 83 5.041 8.825 1.778 1.00 35.51 H new ATOM 0 HA VAL A 83 6.620 11.312 2.125 1.00 31.34 H new ATOM 0 HB VAL A 83 6.235 9.739 -0.454 1.00 63.52 H new ATOM 0 HG11 VAL A 83 7.659 11.481 -1.503 1.00 41.20 H new ATOM 0 HG12 VAL A 83 6.136 12.149 -0.868 1.00 41.20 H new ATOM 0 HG13 VAL A 83 7.655 12.390 0.027 1.00 41.20 H new ATOM 0 HG21 VAL A 83 8.708 9.480 -0.458 1.00 42.41 H new ATOM 0 HG22 VAL A 83 8.780 10.244 1.148 1.00 42.41 H new ATOM 0 HG23 VAL A 83 7.952 8.682 0.942 1.00 42.41 H new ATOM 1319 N VAL A 84 4.381 12.484 1.680 1.00 12.33 N ATOM 1320 CA VAL A 84 3.092 13.162 1.459 1.00 51.11 C ATOM 1321 C VAL A 84 3.294 14.294 0.427 1.00 75.12 C ATOM 1322 O VAL A 84 4.074 15.224 0.663 1.00 60.04 O ATOM 1323 CB VAL A 84 2.458 13.697 2.807 1.00 5.24 C ATOM 1324 CG1 VAL A 84 3.406 14.633 3.594 1.00 55.12 C ATOM 1325 CG2 VAL A 84 1.078 14.349 2.547 1.00 45.43 C ATOM 0 H VAL A 84 5.037 13.015 2.252 1.00 12.33 H new ATOM 0 HA VAL A 84 2.377 12.440 1.064 1.00 51.11 H new ATOM 0 HB VAL A 84 2.304 12.831 3.450 1.00 5.24 H new ATOM 0 HG11 VAL A 84 2.913 14.966 4.507 1.00 55.12 H new ATOM 0 HG12 VAL A 84 4.319 14.095 3.850 1.00 55.12 H new ATOM 0 HG13 VAL A 84 3.655 15.499 2.980 1.00 55.12 H new ATOM 0 HG21 VAL A 84 0.662 14.709 3.488 1.00 45.43 H new ATOM 0 HG22 VAL A 84 1.195 15.186 1.858 1.00 45.43 H new ATOM 0 HG23 VAL A 84 0.404 13.612 2.111 1.00 45.43 H new ATOM 1335 N HIS A 85 2.640 14.186 -0.744 1.00 63.14 N ATOM 1336 CA HIS A 85 2.798 15.182 -1.835 1.00 53.24 C ATOM 1337 C HIS A 85 1.755 16.313 -1.732 1.00 4.01 C ATOM 1338 O HIS A 85 1.860 17.317 -2.436 1.00 0.14 O ATOM 1339 CB HIS A 85 2.756 14.489 -3.220 1.00 42.23 C ATOM 1340 CG HIS A 85 3.917 13.554 -3.475 1.00 1.42 C ATOM 1341 ND1 HIS A 85 5.016 13.919 -4.221 1.00 45.34 N ATOM 1342 CD2 HIS A 85 4.160 12.279 -3.071 1.00 0.14 C ATOM 1343 CE1 HIS A 85 5.871 12.924 -4.263 1.00 63.00 C ATOM 1344 NE2 HIS A 85 5.379 11.919 -3.576 1.00 24.03 N ATOM 0 H HIS A 85 1.998 13.424 -0.965 1.00 63.14 H new ATOM 0 HA HIS A 85 3.778 15.647 -1.723 1.00 53.24 H new ATOM 0 HB2 HIS A 85 1.825 13.928 -3.306 1.00 42.23 H new ATOM 0 HB3 HIS A 85 2.741 15.253 -3.997 1.00 42.23 H new ATOM 0 HD2 HIS A 85 3.511 11.665 -2.464 1.00 0.14 H new ATOM 0 HE1 HIS A 85 6.821 12.931 -4.777 1.00 63.00 H new ATOM 0 HE2 HIS A 85 5.833 11.016 -3.441 1.00 24.03 H new ATOM 1504 N ARG A 96 -8.005 15.676 0.518 1.00 10.31 N ATOM 1505 CA ARG A 96 -7.546 14.300 0.749 1.00 32.34 C ATOM 1506 C ARG A 96 -6.064 14.294 1.145 1.00 31.04 C ATOM 1507 O ARG A 96 -5.339 15.277 0.921 1.00 32.32 O ATOM 1508 CB ARG A 96 -7.755 13.466 -0.539 1.00 2.11 C ATOM 1509 CG ARG A 96 -6.996 14.007 -1.777 1.00 75.44 C ATOM 1510 CD ARG A 96 -7.316 13.217 -3.051 1.00 11.41 C ATOM 1511 NE ARG A 96 -8.740 13.308 -3.414 1.00 75.25 N ATOM 1512 CZ ARG A 96 -9.414 12.409 -4.151 1.00 4.13 C ATOM 1513 NH1 ARG A 96 -8.814 11.322 -4.620 1.00 12.13 N ATOM 1514 NH2 ARG A 96 -10.691 12.617 -4.422 1.00 42.24 N ATOM 0 HA ARG A 96 -8.123 13.861 1.563 1.00 32.34 H new ATOM 0 HB2 ARG A 96 -7.436 12.441 -0.350 1.00 2.11 H new ATOM 0 HB3 ARG A 96 -8.820 13.431 -0.767 1.00 2.11 H new ATOM 0 HG2 ARG A 96 -7.254 15.055 -1.928 1.00 75.44 H new ATOM 0 HG3 ARG A 96 -5.923 13.967 -1.588 1.00 75.44 H new ATOM 0 HD2 ARG A 96 -6.708 13.593 -3.873 1.00 11.41 H new ATOM 0 HD3 ARG A 96 -7.045 12.171 -2.907 1.00 11.41 H new ATOM 0 HE ARG A 96 -9.258 14.120 -3.078 1.00 75.25 H new ATOM 0 HH11 ARG A 96 -7.827 11.159 -4.423 1.00 12.13 H new ATOM 0 HH12 ARG A 96 -9.340 10.650 -5.178 1.00 12.13 H new ATOM 0 HH21 ARG A 96 -11.157 13.454 -4.072 1.00 42.24 H new ATOM 0 HH22 ARG A 96 -11.211 11.940 -4.981 1.00 42.24 H new ATOM 1528 N ASP A 97 -5.630 13.174 1.731 1.00 34.21 N ATOM 1529 CA ASP A 97 -4.208 12.902 1.985 1.00 41.41 C ATOM 1530 C ASP A 97 -3.626 12.223 0.742 1.00 32.05 C ATOM 1531 O ASP A 97 -4.313 11.417 0.095 1.00 52.32 O ATOM 1532 CB ASP A 97 -4.020 11.961 3.216 1.00 72.11 C ATOM 1533 CG ASP A 97 -4.306 12.610 4.586 1.00 52.41 C ATOM 1534 OD1 ASP A 97 -5.338 13.297 4.739 1.00 43.40 O ATOM 1535 OD2 ASP A 97 -3.502 12.426 5.526 1.00 41.33 O ATOM 0 H ASP A 97 -6.253 12.429 2.043 1.00 34.21 H new ATOM 0 HA ASP A 97 -3.699 13.842 2.199 1.00 41.41 H new ATOM 0 HB2 ASP A 97 -4.674 11.097 3.097 1.00 72.11 H new ATOM 0 HB3 ASP A 97 -2.996 11.587 3.215 1.00 72.11 H new ATOM 1540 N ASP A 98 -2.380 12.569 0.399 1.00 23.31 N ATOM 1541 CA ASP A 98 -1.596 11.806 -0.587 1.00 3.20 C ATOM 1542 C ASP A 98 -0.531 11.035 0.193 1.00 15.15 C ATOM 1543 O ASP A 98 0.437 11.622 0.669 1.00 14.42 O ATOM 1544 CB ASP A 98 -0.932 12.729 -1.636 1.00 32.12 C ATOM 1545 CG ASP A 98 -0.133 11.929 -2.682 1.00 12.54 C ATOM 1546 OD1 ASP A 98 -0.724 11.497 -3.688 1.00 34.13 O ATOM 1547 OD2 ASP A 98 1.084 11.714 -2.495 1.00 54.21 O ATOM 0 H ASP A 98 -1.889 13.374 0.789 1.00 23.31 H new ATOM 0 HA ASP A 98 -2.251 11.133 -1.140 1.00 3.20 H new ATOM 0 HB2 ASP A 98 -1.699 13.318 -2.138 1.00 32.12 H new ATOM 0 HB3 ASP A 98 -0.269 13.432 -1.133 1.00 32.12 H new ATOM 1552 N THR A 99 -0.734 9.733 0.340 1.00 2.41 N ATOM 1553 CA THR A 99 0.088 8.891 1.200 1.00 43.30 C ATOM 1554 C THR A 99 0.901 7.894 0.355 1.00 0.01 C ATOM 1555 O THR A 99 0.431 6.800 0.035 1.00 21.44 O ATOM 1556 CB THR A 99 -0.869 8.190 2.211 1.00 1.12 C ATOM 1557 OG1 THR A 99 -1.665 9.198 2.861 1.00 23.22 O ATOM 1558 CG2 THR A 99 -0.138 7.388 3.274 1.00 62.25 C ATOM 0 H THR A 99 -1.480 9.227 -0.138 1.00 2.41 H new ATOM 0 HA THR A 99 0.821 9.478 1.753 1.00 43.30 H new ATOM 0 HB THR A 99 -1.481 7.488 1.644 1.00 1.12 H new ATOM 0 HG1 THR A 99 -1.506 9.167 3.828 1.00 23.22 H new ATOM 0 HG21 THR A 99 -0.863 6.927 3.944 1.00 62.25 H new ATOM 0 HG22 THR A 99 0.460 6.612 2.797 1.00 62.25 H new ATOM 0 HG23 THR A 99 0.514 8.049 3.845 1.00 62.25 H new ATOM 1566 N GLU A 100 2.129 8.300 -0.028 1.00 51.33 N ATOM 1567 CA GLU A 100 2.990 7.509 -0.925 1.00 65.13 C ATOM 1568 C GLU A 100 4.011 6.718 -0.098 1.00 33.10 C ATOM 1569 O GLU A 100 4.857 7.309 0.575 1.00 13.41 O ATOM 1570 CB GLU A 100 3.736 8.400 -1.965 1.00 63.10 C ATOM 1571 CG GLU A 100 4.682 7.602 -2.911 1.00 13.12 C ATOM 1572 CD GLU A 100 5.545 8.486 -3.829 1.00 32.33 C ATOM 1573 OE1 GLU A 100 6.502 9.115 -3.333 1.00 3.44 O ATOM 1574 OE2 GLU A 100 5.272 8.556 -5.051 1.00 54.40 O ATOM 0 H GLU A 100 2.548 9.180 0.275 1.00 51.33 H new ATOM 0 HA GLU A 100 2.345 6.827 -1.479 1.00 65.13 H new ATOM 0 HB2 GLU A 100 3.000 8.933 -2.567 1.00 63.10 H new ATOM 0 HB3 GLU A 100 4.319 9.152 -1.434 1.00 63.10 H new ATOM 0 HG2 GLU A 100 5.338 6.975 -2.307 1.00 13.12 H new ATOM 0 HG3 GLU A 100 4.082 6.933 -3.528 1.00 13.12 H new ATOM 1581 N PHE A 101 3.909 5.386 -0.126 1.00 5.13 N ATOM 1582 CA PHE A 101 4.915 4.497 0.468 1.00 25.23 C ATOM 1583 C PHE A 101 5.854 3.989 -0.635 1.00 62.01 C ATOM 1584 O PHE A 101 5.409 3.339 -1.591 1.00 74.21 O ATOM 1585 CB PHE A 101 4.234 3.328 1.204 1.00 53.54 C ATOM 1586 CG PHE A 101 3.404 3.763 2.409 1.00 2.33 C ATOM 1587 CD1 PHE A 101 4.025 4.090 3.615 1.00 23.04 C ATOM 1588 CD2 PHE A 101 2.010 3.846 2.338 1.00 24.32 C ATOM 1589 CE1 PHE A 101 3.281 4.486 4.709 1.00 65.24 C ATOM 1590 CE2 PHE A 101 1.271 4.237 3.435 1.00 15.31 C ATOM 1591 CZ PHE A 101 1.906 4.559 4.617 1.00 15.53 C ATOM 0 H PHE A 101 3.129 4.893 -0.560 1.00 5.13 H new ATOM 0 HA PHE A 101 5.502 5.048 1.202 1.00 25.23 H new ATOM 0 HB2 PHE A 101 3.591 2.795 0.504 1.00 53.54 H new ATOM 0 HB3 PHE A 101 4.998 2.624 1.535 1.00 53.54 H new ATOM 0 HD1 PHE A 101 5.101 4.033 3.694 1.00 23.04 H new ATOM 0 HD2 PHE A 101 1.507 3.601 1.414 1.00 24.32 H new ATOM 0 HE1 PHE A 101 3.775 4.738 5.636 1.00 65.24 H new ATOM 0 HE2 PHE A 101 0.194 4.291 3.369 1.00 15.31 H new ATOM 0 HZ PHE A 101 1.325 4.869 5.473 1.00 15.53 H new ATOM 1601 N GLN A 102 7.150 4.293 -0.483 1.00 71.42 N ATOM 1602 CA GLN A 102 8.197 3.985 -1.479 1.00 64.42 C ATOM 1603 C GLN A 102 9.101 2.848 -0.972 1.00 24.33 C ATOM 1604 O GLN A 102 9.375 2.759 0.239 1.00 52.13 O ATOM 1605 CB GLN A 102 9.026 5.271 -1.771 1.00 65.24 C ATOM 1606 CG GLN A 102 9.718 5.884 -0.531 1.00 12.13 C ATOM 1607 CD GLN A 102 10.513 7.162 -0.812 1.00 14.22 C ATOM 1608 OE1 GLN A 102 10.178 7.942 -1.697 1.00 14.33 O ATOM 1609 NE2 GLN A 102 11.572 7.388 -0.050 1.00 13.22 N ATOM 0 H GLN A 102 7.510 4.767 0.345 1.00 71.42 H new ATOM 0 HA GLN A 102 7.730 3.650 -2.405 1.00 64.42 H new ATOM 0 HB2 GLN A 102 9.786 5.037 -2.516 1.00 65.24 H new ATOM 0 HB3 GLN A 102 8.368 6.020 -2.211 1.00 65.24 H new ATOM 0 HG2 GLN A 102 8.960 6.101 0.222 1.00 12.13 H new ATOM 0 HG3 GLN A 102 10.390 5.141 -0.101 1.00 12.13 H new ATOM 0 HE21 GLN A 102 11.827 6.722 0.679 1.00 13.22 H new ATOM 0 HE22 GLN A 102 12.132 8.228 -0.192 1.00 13.22 H new ATOM 1618 N HIS A 103 9.558 1.976 -1.900 1.00 73.11 N ATOM 1619 CA HIS A 103 10.474 0.865 -1.563 1.00 74.41 C ATOM 1620 C HIS A 103 11.203 0.367 -2.837 1.00 11.50 C ATOM 1621 O HIS A 103 10.543 0.109 -3.845 1.00 35.02 O ATOM 1622 CB HIS A 103 9.692 -0.308 -0.894 1.00 33.11 C ATOM 1623 CG HIS A 103 10.541 -1.224 -0.063 1.00 32.03 C ATOM 1624 ND1 HIS A 103 11.088 -2.403 -0.522 1.00 11.24 N ATOM 1625 CD2 HIS A 103 10.946 -1.102 1.217 1.00 30.42 C ATOM 1626 CE1 HIS A 103 11.795 -2.958 0.452 1.00 40.01 C ATOM 1627 NE2 HIS A 103 11.717 -2.188 1.510 1.00 70.41 N ATOM 0 H HIS A 103 9.307 2.021 -2.887 1.00 73.11 H new ATOM 0 HA HIS A 103 11.216 1.232 -0.854 1.00 74.41 H new ATOM 0 HB2 HIS A 103 8.905 0.108 -0.265 1.00 33.11 H new ATOM 0 HB3 HIS A 103 9.202 -0.893 -1.673 1.00 33.11 H new ATOM 0 HD2 HIS A 103 10.704 -0.291 1.888 1.00 30.42 H new ATOM 0 HE1 HIS A 103 12.342 -3.887 0.385 1.00 40.01 H new ATOM 0 HE2 HIS A 103 12.162 -2.372 2.409 1.00 70.41 H new ATOM 1636 N PRO A 104 12.574 0.184 -2.798 1.00 45.05 N ATOM 1637 CA PRO A 104 13.368 -0.265 -3.982 1.00 12.14 C ATOM 1638 C PRO A 104 13.066 -1.715 -4.415 1.00 13.11 C ATOM 1639 O PRO A 104 13.261 -2.075 -5.587 1.00 72.41 O ATOM 1640 CB PRO A 104 14.839 -0.114 -3.502 1.00 52.43 C ATOM 1641 CG PRO A 104 14.770 -0.230 -2.011 1.00 64.04 C ATOM 1642 CD PRO A 104 13.464 0.431 -1.621 1.00 24.32 C ATOM 0 HA PRO A 104 13.131 0.322 -4.870 1.00 12.14 H new ATOM 0 HB2 PRO A 104 15.476 -0.888 -3.930 1.00 52.43 H new ATOM 0 HB3 PRO A 104 15.257 0.846 -3.805 1.00 52.43 H new ATOM 0 HG2 PRO A 104 14.793 -1.273 -1.696 1.00 64.04 H new ATOM 0 HG3 PRO A 104 15.618 0.265 -1.538 1.00 64.04 H new ATOM 0 HD2 PRO A 104 13.052 -0.003 -0.710 1.00 24.32 H new ATOM 0 HD3 PRO A 104 13.595 1.497 -1.435 1.00 24.32 H new ATOM 1650 N CYS A 105 12.585 -2.538 -3.463 1.00 62.12 N ATOM 1651 CA CYS A 105 12.242 -3.952 -3.727 1.00 52.31 C ATOM 1652 C CYS A 105 10.741 -4.107 -4.044 1.00 64.23 C ATOM 1653 O CYS A 105 10.233 -5.222 -4.125 1.00 43.22 O ATOM 1654 CB CYS A 105 12.639 -4.826 -2.516 1.00 72.01 C ATOM 1655 SG CYS A 105 14.287 -4.489 -1.870 1.00 5.40 S ATOM 0 H CYS A 105 12.424 -2.247 -2.499 1.00 62.12 H new ATOM 0 HA CYS A 105 12.801 -4.287 -4.600 1.00 52.31 H new ATOM 0 HB2 CYS A 105 11.911 -4.675 -1.719 1.00 72.01 H new ATOM 0 HB3 CYS A 105 12.582 -5.875 -2.805 1.00 72.01 H new ATOM 0 HG CYS A 105 14.524 -5.269 -0.858 1.00 5.40 H new ATOM 1661 N PHE A 106 10.029 -2.981 -4.209 1.00 22.41 N ATOM 1662 CA PHE A 106 8.612 -2.982 -4.599 1.00 30.20 C ATOM 1663 C PHE A 106 8.516 -2.413 -6.020 1.00 64.53 C ATOM 1664 O PHE A 106 8.634 -1.208 -6.200 1.00 70.03 O ATOM 1665 CB PHE A 106 7.791 -2.118 -3.592 1.00 62.14 C ATOM 1666 CG PHE A 106 6.274 -2.080 -3.827 1.00 35.52 C ATOM 1667 CD1 PHE A 106 5.445 -3.078 -3.311 1.00 21.54 C ATOM 1668 CD2 PHE A 106 5.678 -1.036 -4.541 1.00 72.35 C ATOM 1669 CE1 PHE A 106 4.076 -3.037 -3.499 1.00 73.43 C ATOM 1670 CE2 PHE A 106 4.310 -0.999 -4.731 1.00 41.13 C ATOM 1671 CZ PHE A 106 3.509 -1.998 -4.210 1.00 54.10 C ATOM 0 H PHE A 106 10.419 -2.048 -4.076 1.00 22.41 H new ATOM 0 HA PHE A 106 8.202 -3.992 -4.582 1.00 30.20 H new ATOM 0 HB2 PHE A 106 7.975 -2.494 -2.586 1.00 62.14 H new ATOM 0 HB3 PHE A 106 8.171 -1.097 -3.625 1.00 62.14 H new ATOM 0 HD1 PHE A 106 5.880 -3.896 -2.756 1.00 21.54 H new ATOM 0 HD2 PHE A 106 6.295 -0.249 -4.949 1.00 72.35 H new ATOM 0 HE1 PHE A 106 3.451 -3.817 -3.090 1.00 73.43 H new ATOM 0 HE2 PHE A 106 3.865 -0.188 -5.288 1.00 41.13 H new ATOM 0 HZ PHE A 106 2.440 -1.966 -4.359 1.00 54.10 H new ATOM 1681 N LEU A 107 8.385 -3.292 -7.028 1.00 2.22 N ATOM 1682 CA LEU A 107 8.136 -2.887 -8.428 1.00 22.52 C ATOM 1683 C LEU A 107 6.815 -3.504 -8.918 1.00 41.12 C ATOM 1684 O LEU A 107 6.394 -4.571 -8.443 1.00 41.51 O ATOM 1685 CB LEU A 107 9.318 -3.311 -9.345 1.00 61.23 C ATOM 1686 CG LEU A 107 10.708 -2.643 -9.070 1.00 21.01 C ATOM 1687 CD1 LEU A 107 11.799 -3.216 -10.009 1.00 50.14 C ATOM 1688 CD2 LEU A 107 10.626 -1.107 -9.196 1.00 32.42 C ATOM 0 H LEU A 107 8.448 -4.302 -6.899 1.00 2.22 H new ATOM 0 HA LEU A 107 8.056 -1.801 -8.472 1.00 22.52 H new ATOM 0 HB2 LEU A 107 9.439 -4.391 -9.263 1.00 61.23 H new ATOM 0 HB3 LEU A 107 9.039 -3.099 -10.377 1.00 61.23 H new ATOM 0 HG LEU A 107 10.989 -2.880 -8.044 1.00 21.01 H new ATOM 0 HD11 LEU A 107 12.753 -2.734 -9.795 1.00 50.14 H new ATOM 0 HD12 LEU A 107 11.891 -4.290 -9.847 1.00 50.14 H new ATOM 0 HD13 LEU A 107 11.522 -3.028 -11.046 1.00 50.14 H new ATOM 0 HD21 LEU A 107 11.606 -0.673 -8.999 1.00 32.42 H new ATOM 0 HD22 LEU A 107 10.307 -0.841 -10.204 1.00 32.42 H new ATOM 0 HD23 LEU A 107 9.907 -0.721 -8.474 1.00 32.42 H new ATOM 1700 N ARG A 108 6.200 -2.831 -9.904 1.00 4.30 N ATOM 1701 CA ARG A 108 4.835 -3.125 -10.380 1.00 53.45 C ATOM 1702 C ARG A 108 4.755 -4.448 -11.168 1.00 61.51 C ATOM 1703 O ARG A 108 3.681 -5.045 -11.258 1.00 41.21 O ATOM 1704 CB ARG A 108 4.317 -1.924 -11.230 1.00 74.23 C ATOM 1705 CG ARG A 108 2.828 -1.983 -11.662 1.00 21.55 C ATOM 1706 CD ARG A 108 1.880 -2.280 -10.486 1.00 75.13 C ATOM 1707 NE ARG A 108 2.178 -1.441 -9.312 1.00 60.23 N ATOM 1708 CZ ARG A 108 1.863 -1.742 -8.047 1.00 10.22 C ATOM 1709 NH1 ARG A 108 1.211 -2.866 -7.746 1.00 5.31 N ATOM 1710 NH2 ARG A 108 2.229 -0.916 -7.075 1.00 31.51 N ATOM 0 H ARG A 108 6.641 -2.057 -10.401 1.00 4.30 H new ATOM 0 HA ARG A 108 4.192 -3.257 -9.510 1.00 53.45 H new ATOM 0 HB2 ARG A 108 4.472 -1.008 -10.660 1.00 74.23 H new ATOM 0 HB3 ARG A 108 4.931 -1.849 -12.127 1.00 74.23 H new ATOM 0 HG2 ARG A 108 2.548 -1.033 -12.118 1.00 21.55 H new ATOM 0 HG3 ARG A 108 2.705 -2.751 -12.425 1.00 21.55 H new ATOM 0 HD2 ARG A 108 0.850 -2.112 -10.800 1.00 75.13 H new ATOM 0 HD3 ARG A 108 1.962 -3.331 -10.211 1.00 75.13 H new ATOM 0 HE ARG A 108 2.664 -0.559 -9.477 1.00 60.23 H new ATOM 0 HH11 ARG A 108 0.943 -3.514 -8.487 1.00 5.31 H new ATOM 0 HH12 ARG A 108 0.980 -3.077 -6.775 1.00 5.31 H new ATOM 0 HH21 ARG A 108 2.744 -0.064 -7.297 1.00 31.51 H new ATOM 0 HH22 ARG A 108 1.995 -1.133 -6.106 1.00 31.51 H new ATOM 1724 N GLY A 109 5.885 -4.904 -11.718 1.00 34.44 N ATOM 1725 CA GLY A 109 5.944 -6.171 -12.458 1.00 24.25 C ATOM 1726 C GLY A 109 6.929 -7.153 -11.842 1.00 53.22 C ATOM 1727 O GLY A 109 7.480 -8.001 -12.545 1.00 3.30 O ATOM 0 H GLY A 109 6.777 -4.412 -11.665 1.00 34.44 H new ATOM 0 HA2 GLY A 109 4.952 -6.622 -12.482 1.00 24.25 H new ATOM 0 HA3 GLY A 109 6.230 -5.973 -13.491 1.00 24.25 H new ATOM 1731 N GLN A 110 7.162 -7.037 -10.517 1.00 65.02 N ATOM 1732 CA GLN A 110 8.162 -7.850 -9.794 1.00 44.32 C ATOM 1733 C GLN A 110 7.567 -8.373 -8.473 1.00 31.23 C ATOM 1734 O GLN A 110 7.810 -7.815 -7.390 1.00 24.43 O ATOM 1735 CB GLN A 110 9.448 -7.018 -9.526 1.00 32.31 C ATOM 1736 CG GLN A 110 10.208 -6.531 -10.779 1.00 2.32 C ATOM 1737 CD GLN A 110 10.957 -7.635 -11.518 1.00 12.10 C ATOM 1738 OE1 GLN A 110 12.200 -7.865 -11.138 1.00 51.33 O flip ATOM 1739 NE2 GLN A 110 10.425 -8.281 -12.415 1.00 54.10 N flip ATOM 0 H GLN A 110 6.663 -6.378 -9.920 1.00 65.02 H new ATOM 0 HA GLN A 110 8.432 -8.705 -10.414 1.00 44.32 H new ATOM 0 HB2 GLN A 110 9.177 -6.148 -8.928 1.00 32.31 H new ATOM 0 HB3 GLN A 110 10.128 -7.620 -8.923 1.00 32.31 H new ATOM 0 HG2 GLN A 110 9.499 -6.066 -11.464 1.00 2.32 H new ATOM 0 HG3 GLN A 110 10.918 -5.759 -10.483 1.00 2.32 H new ATOM 0 HE21 GLN A 110 9.463 -8.080 -12.686 1.00 54.10 H new ATOM 0 HE22 GLN A 110 10.945 -9.019 -12.889 1.00 54.10 H new ATOM 1748 N GLU A 111 6.748 -9.423 -8.595 1.00 2.32 N ATOM 1749 CA GLU A 111 6.157 -10.148 -7.446 1.00 41.30 C ATOM 1750 C GLU A 111 7.234 -10.888 -6.608 1.00 5.22 C ATOM 1751 O GLU A 111 7.067 -11.075 -5.397 1.00 52.45 O ATOM 1752 CB GLU A 111 5.070 -11.160 -7.934 1.00 52.15 C ATOM 1753 CG GLU A 111 5.579 -12.409 -8.706 1.00 72.15 C ATOM 1754 CD GLU A 111 6.307 -12.099 -10.035 1.00 4.03 C ATOM 1755 OE1 GLU A 111 5.633 -11.919 -11.072 1.00 12.34 O ATOM 1756 OE2 GLU A 111 7.552 -12.023 -10.049 1.00 21.40 O ATOM 0 H GLU A 111 6.469 -9.803 -9.499 1.00 2.32 H new ATOM 0 HA GLU A 111 5.690 -9.402 -6.802 1.00 41.30 H new ATOM 0 HB2 GLU A 111 4.508 -11.502 -7.065 1.00 52.15 H new ATOM 0 HB3 GLU A 111 4.370 -10.625 -8.575 1.00 52.15 H new ATOM 0 HG2 GLU A 111 6.256 -12.967 -8.059 1.00 72.15 H new ATOM 0 HG3 GLU A 111 4.730 -13.059 -8.916 1.00 72.15 H new ATOM 1763 N GLN A 112 8.335 -11.306 -7.269 1.00 62.14 N ATOM 1764 CA GLN A 112 9.422 -12.077 -6.625 1.00 24.13 C ATOM 1765 C GLN A 112 10.320 -11.177 -5.754 1.00 34.25 C ATOM 1766 O GLN A 112 11.162 -11.674 -5.004 1.00 14.15 O ATOM 1767 CB GLN A 112 10.278 -12.861 -7.677 1.00 13.34 C ATOM 1768 CG GLN A 112 11.455 -12.102 -8.356 1.00 4.43 C ATOM 1769 CD GLN A 112 11.074 -11.015 -9.370 1.00 12.13 C ATOM 1770 OE1 GLN A 112 10.035 -10.378 -9.277 1.00 51.14 O ATOM 1771 NE2 GLN A 112 11.933 -10.792 -10.353 1.00 21.41 N ATOM 0 H GLN A 112 8.496 -11.120 -8.259 1.00 62.14 H new ATOM 0 HA GLN A 112 8.945 -12.807 -5.971 1.00 24.13 H new ATOM 0 HB2 GLN A 112 10.686 -13.745 -7.187 1.00 13.34 H new ATOM 0 HB3 GLN A 112 9.608 -13.212 -8.461 1.00 13.34 H new ATOM 0 HG2 GLN A 112 12.061 -11.643 -7.575 1.00 4.43 H new ATOM 0 HG3 GLN A 112 12.087 -12.833 -8.861 1.00 4.43 H new ATOM 0 HE21 GLN A 112 12.794 -11.336 -10.411 1.00 21.41 H new ATOM 0 HE22 GLN A 112 11.734 -10.077 -11.052 1.00 21.41 H new ATOM 1780 N LEU A 113 10.159 -9.850 -5.873 1.00 0.45 N ATOM 1781 CA LEU A 113 10.906 -8.882 -5.052 1.00 70.31 C ATOM 1782 C LEU A 113 10.132 -8.535 -3.769 1.00 42.52 C ATOM 1783 O LEU A 113 10.708 -7.955 -2.844 1.00 64.01 O ATOM 1784 CB LEU A 113 11.258 -7.608 -5.865 1.00 43.12 C ATOM 1785 CG LEU A 113 12.346 -7.774 -6.974 1.00 51.51 C ATOM 1786 CD1 LEU A 113 12.627 -6.426 -7.680 1.00 10.41 C ATOM 1787 CD2 LEU A 113 13.647 -8.383 -6.387 1.00 53.44 C ATOM 0 H LEU A 113 9.513 -9.420 -6.535 1.00 0.45 H new ATOM 0 HA LEU A 113 11.845 -9.349 -4.756 1.00 70.31 H new ATOM 0 HB2 LEU A 113 10.346 -7.238 -6.333 1.00 43.12 H new ATOM 0 HB3 LEU A 113 11.593 -6.839 -5.169 1.00 43.12 H new ATOM 0 HG LEU A 113 11.962 -8.467 -7.723 1.00 51.51 H new ATOM 0 HD11 LEU A 113 13.388 -6.569 -8.447 1.00 10.41 H new ATOM 0 HD12 LEU A 113 11.710 -6.059 -8.142 1.00 10.41 H new ATOM 0 HD13 LEU A 113 12.981 -5.699 -6.949 1.00 10.41 H new ATOM 0 HD21 LEU A 113 14.389 -8.489 -7.179 1.00 53.44 H new ATOM 0 HD22 LEU A 113 14.037 -7.727 -5.609 1.00 53.44 H new ATOM 0 HD23 LEU A 113 13.430 -9.362 -5.960 1.00 53.44 H new ATOM 1799 N LEU A 114 8.842 -8.919 -3.708 1.00 55.41 N ATOM 1800 CA LEU A 114 8.002 -8.741 -2.500 1.00 12.12 C ATOM 1801 C LEU A 114 8.476 -9.677 -1.364 1.00 43.22 C ATOM 1802 O LEU A 114 8.282 -9.388 -0.187 1.00 3.12 O ATOM 1803 CB LEU A 114 6.515 -9.014 -2.824 1.00 12.32 C ATOM 1804 CG LEU A 114 5.875 -8.183 -3.973 1.00 63.33 C ATOM 1805 CD1 LEU A 114 4.446 -8.690 -4.272 1.00 15.41 C ATOM 1806 CD2 LEU A 114 5.890 -6.672 -3.650 1.00 64.13 C ATOM 0 H LEU A 114 8.352 -9.359 -4.487 1.00 55.41 H new ATOM 0 HA LEU A 114 8.103 -7.708 -2.168 1.00 12.12 H new ATOM 0 HB2 LEU A 114 6.412 -10.070 -3.073 1.00 12.32 H new ATOM 0 HB3 LEU A 114 5.934 -8.841 -1.918 1.00 12.32 H new ATOM 0 HG LEU A 114 6.475 -8.321 -4.872 1.00 63.33 H new ATOM 0 HD11 LEU A 114 4.011 -8.099 -5.078 1.00 15.41 H new ATOM 0 HD12 LEU A 114 4.487 -9.737 -4.571 1.00 15.41 H new ATOM 0 HD13 LEU A 114 3.831 -8.592 -3.378 1.00 15.41 H new ATOM 0 HD21 LEU A 114 5.436 -6.120 -4.473 1.00 64.13 H new ATOM 0 HD22 LEU A 114 5.326 -6.490 -2.735 1.00 64.13 H new ATOM 0 HD23 LEU A 114 6.919 -6.339 -3.514 1.00 64.13 H new ATOM 1818 N GLU A 115 9.081 -10.818 -1.749 1.00 55.44 N ATOM 1819 CA GLU A 115 9.717 -11.773 -0.802 1.00 61.54 C ATOM 1820 C GLU A 115 11.199 -11.443 -0.554 1.00 71.54 C ATOM 1821 O GLU A 115 11.892 -12.162 0.172 1.00 63.52 O ATOM 1822 CB GLU A 115 9.513 -13.223 -1.288 1.00 25.03 C ATOM 1823 CG GLU A 115 10.016 -13.520 -2.710 1.00 30.11 C ATOM 1824 CD GLU A 115 9.350 -14.758 -3.332 1.00 42.22 C ATOM 1825 OE1 GLU A 115 9.864 -15.882 -3.148 1.00 21.30 O ATOM 1826 OE2 GLU A 115 8.300 -14.606 -3.989 1.00 41.04 O ATOM 0 H GLU A 115 9.146 -11.109 -2.724 1.00 55.44 H new ATOM 0 HA GLU A 115 9.223 -11.671 0.164 1.00 61.54 H new ATOM 0 HB2 GLU A 115 10.019 -13.895 -0.595 1.00 25.03 H new ATOM 0 HB3 GLU A 115 8.450 -13.458 -1.241 1.00 25.03 H new ATOM 0 HG2 GLU A 115 9.828 -12.654 -3.345 1.00 30.11 H new ATOM 0 HG3 GLU A 115 11.096 -13.668 -2.685 1.00 30.11 H new ATOM 1833 N ASN A 116 11.684 -10.370 -1.188 1.00 14.14 N ATOM 1834 CA ASN A 116 12.929 -9.689 -0.776 1.00 23.11 C ATOM 1835 C ASN A 116 12.589 -8.572 0.232 1.00 43.23 C ATOM 1836 O ASN A 116 13.465 -8.105 0.959 1.00 3.21 O ATOM 1837 CB ASN A 116 13.669 -9.109 -2.006 1.00 32.15 C ATOM 1838 CG ASN A 116 14.320 -10.189 -2.870 1.00 12.40 C ATOM 1839 OD1 ASN A 116 13.545 -10.831 -3.716 1.00 24.21 O flip ATOM 1840 ND2 ASN A 116 15.514 -10.471 -2.742 1.00 22.11 N flip ATOM 0 H ASN A 116 11.232 -9.946 -1.998 1.00 14.14 H new ATOM 0 HA ASN A 116 13.592 -10.412 -0.300 1.00 23.11 H new ATOM 0 HB2 ASN A 116 12.965 -8.540 -2.613 1.00 32.15 H new ATOM 0 HB3 ASN A 116 14.434 -8.411 -1.668 1.00 32.15 H new ATOM 0 HD21 ASN A 116 16.091 -9.956 -2.078 1.00 22.11 H new ATOM 0 HD22 ASN A 116 15.924 -11.219 -3.301 1.00 22.11 H new ATOM 1847 N ILE A 117 11.293 -8.173 0.275 1.00 15.41 N ATOM 1848 CA ILE A 117 10.779 -7.228 1.278 1.00 30.23 C ATOM 1849 C ILE A 117 10.374 -8.064 2.504 1.00 14.31 C ATOM 1850 O ILE A 117 9.346 -8.761 2.470 1.00 4.20 O ATOM 1851 CB ILE A 117 9.516 -6.412 0.789 1.00 51.34 C ATOM 1852 CG1 ILE A 117 9.723 -5.782 -0.609 1.00 65.31 C ATOM 1853 CG2 ILE A 117 9.141 -5.326 1.821 1.00 22.33 C ATOM 1854 CD1 ILE A 117 8.506 -5.046 -1.148 1.00 51.31 C ATOM 0 H ILE A 117 10.585 -8.499 -0.383 1.00 15.41 H new ATOM 0 HA ILE A 117 11.558 -6.496 1.490 1.00 30.23 H new ATOM 0 HB ILE A 117 8.693 -7.121 0.701 1.00 51.34 H new ATOM 0 HG12 ILE A 117 10.562 -5.088 -0.562 1.00 65.31 H new ATOM 0 HG13 ILE A 117 9.999 -6.568 -1.312 1.00 65.31 H new ATOM 0 HG21 ILE A 117 8.270 -4.774 1.468 1.00 22.33 H new ATOM 0 HG22 ILE A 117 8.910 -5.797 2.777 1.00 22.33 H new ATOM 0 HG23 ILE A 117 9.978 -4.640 1.948 1.00 22.33 H new ATOM 0 HD11 ILE A 117 8.735 -4.635 -2.131 1.00 51.31 H new ATOM 0 HD12 ILE A 117 7.669 -5.739 -1.231 1.00 51.31 H new ATOM 0 HD13 ILE A 117 8.240 -4.236 -0.469 1.00 51.31 H new ATOM 1866 N LYS A 118 11.184 -8.022 3.564 1.00 13.03 N ATOM 1867 CA LYS A 118 10.973 -8.857 4.759 1.00 51.31 C ATOM 1868 C LYS A 118 10.593 -7.974 5.954 1.00 13.10 C ATOM 1869 O LYS A 118 10.921 -6.782 5.990 1.00 21.41 O ATOM 1870 CB LYS A 118 12.248 -9.699 5.068 1.00 42.32 C ATOM 1871 CG LYS A 118 12.718 -10.688 3.957 1.00 14.31 C ATOM 1872 CD LYS A 118 11.869 -11.995 3.830 1.00 41.32 C ATOM 1873 CE LYS A 118 10.539 -11.829 3.070 1.00 31.23 C ATOM 1874 NZ LYS A 118 9.798 -13.119 2.947 1.00 42.11 N ATOM 0 H LYS A 118 12.001 -7.414 3.623 1.00 13.03 H new ATOM 0 HA LYS A 118 10.153 -9.549 4.568 1.00 51.31 H new ATOM 0 HB2 LYS A 118 13.067 -9.012 5.281 1.00 42.32 H new ATOM 0 HB3 LYS A 118 12.067 -10.270 5.978 1.00 42.32 H new ATOM 0 HG2 LYS A 118 12.702 -10.168 2.999 1.00 14.31 H new ATOM 0 HG3 LYS A 118 13.754 -10.964 4.153 1.00 14.31 H new ATOM 0 HD2 LYS A 118 12.468 -12.753 3.325 1.00 41.32 H new ATOM 0 HD3 LYS A 118 11.655 -12.372 4.830 1.00 41.32 H new ATOM 0 HE2 LYS A 118 9.915 -11.101 3.588 1.00 31.23 H new ATOM 0 HE3 LYS A 118 10.738 -11.429 2.076 1.00 31.23 H new ATOM 0 HZ1 LYS A 118 8.910 -12.961 2.429 1.00 42.11 H new ATOM 0 HZ2 LYS A 118 10.382 -13.807 2.431 1.00 42.11 H new ATOM 0 HZ3 LYS A 118 9.585 -13.489 3.895 1.00 42.11 H new ATOM 1888 N ARG A 119 9.904 -8.582 6.924 1.00 71.31 N ATOM 1889 CA ARG A 119 9.455 -7.908 8.159 1.00 52.02 C ATOM 1890 C ARG A 119 10.311 -8.394 9.338 1.00 20.11 C ATOM 1891 O ARG A 119 10.887 -7.566 10.052 1.00 53.25 O ATOM 1892 CB ARG A 119 7.931 -8.143 8.412 1.00 12.13 C ATOM 1893 CG ARG A 119 7.409 -9.519 7.960 1.00 45.24 C ATOM 1894 CD ARG A 119 5.949 -9.768 8.341 1.00 44.22 C ATOM 1895 NE ARG A 119 5.808 -10.027 9.786 1.00 24.44 N ATOM 1896 CZ ARG A 119 4.984 -9.378 10.615 1.00 3.45 C ATOM 1897 NH1 ARG A 119 4.195 -8.405 10.165 1.00 42.41 N ATOM 1898 NH2 ARG A 119 4.940 -9.727 11.888 1.00 20.20 N ATOM 0 H ARG A 119 9.637 -9.565 6.879 1.00 71.31 H new ATOM 0 HA ARG A 119 9.588 -6.832 8.050 1.00 52.02 H new ATOM 0 HB2 ARG A 119 7.731 -8.026 9.477 1.00 12.13 H new ATOM 0 HB3 ARG A 119 7.367 -7.367 7.894 1.00 12.13 H new ATOM 0 HG2 ARG A 119 7.514 -9.602 6.878 1.00 45.24 H new ATOM 0 HG3 ARG A 119 8.030 -10.298 8.401 1.00 45.24 H new ATOM 0 HD2 ARG A 119 5.346 -8.903 8.064 1.00 44.22 H new ATOM 0 HD3 ARG A 119 5.564 -10.618 7.778 1.00 44.22 H new ATOM 0 HE ARG A 119 6.388 -10.764 10.187 1.00 24.44 H new ATOM 0 HH11 ARG A 119 4.215 -8.148 9.178 1.00 42.41 H new ATOM 0 HH12 ARG A 119 3.570 -7.917 10.807 1.00 42.41 H new ATOM 0 HH21 ARG A 119 5.531 -10.485 12.230 1.00 20.20 H new ATOM 0 HH22 ARG A 119 4.315 -9.239 12.529 1.00 20.20 H new